Product Name

  • Name

    Methyl isothiocyanate

  • EINECS 209-132-5
  • CAS No. 556-61-6
  • Article Data86
  • CAS DataBase
  • Density 0.95 g/cm3
  • Solubility 7.6 g/L in water
  • Melting Point 30-34 °C(lit.)
  • Formula C2H3NS
  • Boiling Point 107.8 °C at 760 mmHg
  • Molecular Weight 73.1185
  • Flash Point 32.2 °C
  • Transport Information UN 2477 6.1/PG 1
  • Appearance colourless solid
  • Safety 36/37-38-45-60-61
  • Risk Codes 23/25-34-43-50/53
  • Molecular Structure Molecular Structure of 556-61-6 (Methyl isothiocyanate)
  • Hazard Symbols ToxicT,DangerousN
  • Synonyms Isothiocyanicacid, methyl ester (6CI,8CI);Isothiocyanatomethane;MIT;MIT (pesticide);Methyl isothiocyanate;Methyl isothiocyanide;Methyl mustard;Methyl mustardoil;Methyl thioisocyanate;Morton EP-161E;Trapex;Trapex (soil fumigant);Trapexide;Tropex;WN 12;
  • PSA 44.45000
  • LogP 0.71900

Synthetic route

Methyldithiocarbamidsaeure-ethylester
52664-26-3

Methyldithiocarbamidsaeure-ethylester

A

methyl thioisocyanate
556-61-6

methyl thioisocyanate

B

ethanethiol
75-08-1

ethanethiol

Conditions
ConditionsYield
at 250 - 260℃;A 96%
B n/a
sodium N-methyldithiocarbamate
137-42-8

sodium N-methyldithiocarbamate

N-phenyl-benzimidoyl chloride
4903-36-0

N-phenyl-benzimidoyl chloride

A

methyl thioisocyanate
556-61-6

methyl thioisocyanate

B

N-Phenylbenzothioamide
636-04-4

N-Phenylbenzothioamide

Conditions
ConditionsYield
In diethyl ether 0 deg C to r.t.;A 51%
B 95%
O,O-(1,2-dimethylethylene) S-(trimethylsilyl) phosphorodithioate
82561-29-3

O,O-(1,2-dimethylethylene) S-(trimethylsilyl) phosphorodithioate

A

4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide
82597-70-4

4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
With methyl isocyanate for 24h; Ambient temperature; then distillation;A 90%
B 92%
methyl isocyanate
624-83-9

methyl isocyanate

A

4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide
82597-70-4

4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
With O,O-(1,2-dimethylethylene) S-(trimethylsilyl) phosphorodithioate for 24h;A 90%
B 92%
O-(trimethylsilyl) <<(1,2-dimethylethylene)dioxy>phosphinothioyl>methylthiocarbamate

O-(trimethylsilyl) <<(1,2-dimethylethylene)dioxy>phosphinothioyl>methylthiocarbamate

A

4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide
82597-70-4

4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
for 24h; Ambient temperature; then distillation;A 90%
B 92%
carbon disulfide
75-15-0

carbon disulfide

N-methyl-P,P,P-triphenylphosphine imide
17986-01-5

N-methyl-P,P,P-triphenylphosphine imide

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
In benzene for 2h; Heating;80%
carbon disulfide
75-15-0

carbon disulfide

methylamine hydrochloride
593-51-1

methylamine hydrochloride

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
Stage #1: carbon disulfide; methylamine hydrochloride With sodium hydroxide In water at 10 - 85℃;
Stage #2: With chloroformic acid ethyl ester at 35 - 40℃;
61%
Stage #1: carbon disulfide; methylamine hydrochloride With sodium hydroxide In water at 10 - 40℃; for 2h;
Stage #2: With chloroformic acid ethyl ester In water for 1.5h;
61%
1,3-dimethyltetraphenylcyclodigermazane
67601-94-9

1,3-dimethyltetraphenylcyclodigermazane

A

((C6H5)2GeS)2
84973-35-3

((C6H5)2GeS)2

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
With carbon disulfide In benzene-d6 under Ar or N2, PhNCO and CS2 were added to a soln. of (Ph2GeNMe)2, 12 h at 20°C; gas chromy.;A 40.5%
B 39%
methylamine
74-89-5

methylamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
Stage #1: methylamine With carbon disulfide; triethylamine at 0℃; for 2h;
Stage #2: With lead(II) nitrate; sulfuric acid In water Further stages.;
24.98%
1,3-dimethyltetraphenylcyclodigermazane
67601-94-9

1,3-dimethyltetraphenylcyclodigermazane

phenyl isothiocyanate
103-72-0

phenyl isothiocyanate

A

((C6H5)2GeS)2
84973-35-3

((C6H5)2GeS)2

B

(C2N3Ge)(C6H5)4(S)2CH3
84973-41-1

(C2N3Ge)(C6H5)4(S)2CH3

C

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
In benzene-d6 under Ar or N2, PhNCS was added to a soln. of (Ph2GeNMe)2, 17 h at 100°C;A 20%
B 45-65
C 22%
carbon disulfide
75-15-0

carbon disulfide

C13H13NPS(1-)*Na(1+)

C13H13NPS(1-)*Na(1+)

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
Ambient temperature;20%
2-iodo-propane
75-30-9

2-iodo-propane

N,N'-dimethylthioperoxydicarbamic acid
2438-90-6

N,N'-dimethylthioperoxydicarbamic acid

A

diisopropyl sulfide
4253-89-8

diisopropyl sulfide

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

methyl thiocyanate
556-64-9

methyl thiocyanate

A

2,4,6-tris(methylthio)-1,3,5-triazine
5759-58-0

2,4,6-tris(methylthio)-1,3,5-triazine

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
With hydrogenchloride at 180 - 185℃;
With sulfuric acid at 180 - 185℃;
methyl thiocyanate
556-64-9

methyl thiocyanate

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
beim Erhitzen;
With cadmium(II) iodide
With sulfuric acid
N,N'-dimethylthioperoxydicarbamic acid
2438-90-6

N,N'-dimethylthioperoxydicarbamic acid

chloroform
67-66-3

chloroform

methyl thioisocyanate
556-61-6

methyl thioisocyanate

N,N'-dimethylthioperoxydicarbamic acid
2438-90-6

N,N'-dimethylthioperoxydicarbamic acid

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
With water
With ethanol
dimethyl-μ-disulfido-1,2-dithio-dicarbonimidic acid dimethyl ester

dimethyl-μ-disulfido-1,2-dithio-dicarbonimidic acid dimethyl ester

A

Dimethyldisulphide
624-92-0

Dimethyldisulphide

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
beim Erhitzen;
S-methyl N-methyl dithiocarbamate
13037-11-1

S-methyl N-methyl dithiocarbamate

A

methylthiol
74-93-1

methylthiol

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
beim Erhitzen unter gewoehnlichem Druck;
potassium thioacyanate
333-20-0

potassium thioacyanate

tertamethylammonium iodide
75-58-1

tertamethylammonium iodide

A

methyl thiocyanate
556-64-9

methyl thiocyanate

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

C

trimethylamine
75-50-3

trimethylamine

Conditions
ConditionsYield
at 210℃;
carbon disulfide
75-15-0

carbon disulfide

methylamine
74-89-5

methylamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

thiophosgene
463-71-8

thiophosgene

methylamine
74-89-5

methylamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
With chloroform; water
With calcium carbonate In dichloromethane; water at 20℃; for 2h;
carbon disulfide
75-15-0

carbon disulfide

N-methyl-P,P,P-triphenylphosphine imide
17986-01-5

N-methyl-P,P,P-triphenylphosphine imide

A

methyl thioisocyanate
556-61-6

methyl thioisocyanate

B

triphenylphosphine sulfide
3878-45-3

triphenylphosphine sulfide

carbon disulfide
75-15-0

carbon disulfide

N-methyl-2,2,2-trifluoroacetamide
815-06-5

N-methyl-2,2,2-trifluoroacetamide

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
With sodium hydroxide; potassium carbonate In acetonitrile at 25℃; for 0.5h;82 % Chromat.
With potassium carbonate; sodium hydroxide In acetonitrile at 25℃; for 0.75h;
carbon disulfide
75-15-0

carbon disulfide

C4H12NSi(1-)

C4H12NSi(1-)

A

trimethyl-silanethiol
18338-27-7

trimethyl-silanethiol

B

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
at 298℃; under 0.3 Torr; Rate constant;
O-methyl N,N-dimethylthiocarbamate
16703-45-0

O-methyl N,N-dimethylthiocarbamate

A

dimethylsulfide
75-18-3

dimethylsulfide

B

N-methylmethanimine
1761-67-7

N-methylmethanimine

C

S-methyl dimethylthiocarbamate
3013-02-3

S-methyl dimethylthiocarbamate

D

methyl isocyanate
624-83-9

methyl isocyanate

E

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
at 769.9℃; Product distribution; gas-phase pyrolysis and isomerisation;
S-methyl dimethylthiocarbamate
3013-02-3

S-methyl dimethylthiocarbamate

A

dimethylsulfide
75-18-3

dimethylsulfide

B

N-methylmethanimine
1761-67-7

N-methylmethanimine

C

methyl isocyanate
624-83-9

methyl isocyanate

D

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
at 769.9℃; Product distribution; gas-phase pyrolysis;
3-ethylidene-pentane-2,4-dione
15181-39-2, 67556-21-2, 67556-22-3

3-ethylidene-pentane-2,4-dione

dimethyl phosphoroisothiocyanatidite
75532-40-0

dimethyl phosphoroisothiocyanatidite

A

methyl thioisocyanate
556-61-6

methyl thioisocyanate

B

3,5-dimethyl-2-methoxy-2-oxo-4-acetyl-1,2-oxaphosphol-4-ene
15301-33-4

3,5-dimethyl-2-methoxy-2-oxo-4-acetyl-1,2-oxaphosphol-4-ene

Conditions
ConditionsYield
at -5 - 0℃; overnight; Yield given. Yields of byproduct given;
methyl isocyanate
593-75-9, 685498-28-6

methyl isocyanate

methyl thioisocyanate
556-61-6

methyl thioisocyanate

Conditions
ConditionsYield
With selenium; sulfur; triethylamine In tetrahydrofuran for 1.5h; Heating;95 % Chromat.
With sulfur; triethylamine; tellurium In tetrahydrofuran for 3.5h; Heating;94 % Chromat.
4-methoxy-aniline
104-94-9

4-methoxy-aniline

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-(4-methoxyphenyl)-3-methyl-thiourea
20333-73-7

1-(4-methoxyphenyl)-3-methyl-thiourea

Conditions
ConditionsYield
at 20℃; for 24h; Addition; solid-phase reaction;100%
With ethanol
In ethanol for 1h; Heating;
In ethanol Reflux;
methyl thioisocyanate
556-61-6

methyl thioisocyanate

methylamine
74-89-5

methylamine

N,N-dimethylthiourea
534-13-4

N,N-dimethylthiourea

Conditions
ConditionsYield
at 0℃; under 375.03 Torr; Addition; solid-gas reaction;100%
methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-(methyl)-thiourea
598-52-7

1-(methyl)-thiourea

Conditions
ConditionsYield
With ammonia at 0℃; under 375.03 Torr; Addition; solid-gas reaction;100%
With ammonia89%
With ammonium hydroxide85%
oxalyl dichloride
79-37-8

oxalyl dichloride

methyl thioisocyanate
556-61-6

methyl thioisocyanate

3-methyl-2,2-dichlorothiazolidine-4,5-dione
91466-83-0

3-methyl-2,2-dichlorothiazolidine-4,5-dione

Conditions
ConditionsYield
Ambient temperature; other alkyloxalylchloride, other isocyanates and isothiocyanates;100%
Ambient temperature;100%
methyl thioisocyanate
556-61-6

methyl thioisocyanate

2-carbomethoxyaniline
134-20-3

2-carbomethoxyaniline

2-mercapto-3-methyl-3,4-dihydroquinazolin-4-one
1705-09-5

2-mercapto-3-methyl-3,4-dihydroquinazolin-4-one

Conditions
ConditionsYield
In neat (no solvent) for 72h; Ambient temperature;100%
4-chloro-aniline
106-47-8

4-chloro-aniline

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-(4-chloro-phenyl)-3-methyl-thiourea
2740-97-8

1-(4-chloro-phenyl)-3-methyl-thiourea

Conditions
ConditionsYield
at 20℃; for 24h; Addition; solid-phase reaction;100%
In methanol for 1h; Heating;80%
In ethanol for 1h; Heating;
In acetonitrile at 40℃;
methyl thioisocyanate
556-61-6

methyl thioisocyanate

4-bromo-aniline
106-40-1

4-bromo-aniline

1-(4-bromophenyl)-3-methyl-thiourea
61449-55-6

1-(4-bromophenyl)-3-methyl-thiourea

Conditions
ConditionsYield
at 20℃; for 24h; Addition; solid-phase reaction;100%
In ethanol for 1h; Heating;
ethylamine
75-04-7

ethylamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1,1,3-trimethylthiourea
2489-77-2

1,1,3-trimethylthiourea

Conditions
ConditionsYield
at 0℃; under 375.03 Torr; Addition; solid-gas reaction;100%
1-methyl-piperazine
109-01-3

1-methyl-piperazine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

N,4-dimethylpiperazine-1-carbothioamide
64574-95-4

N,4-dimethylpiperazine-1-carbothioamide

Conditions
ConditionsYield
With triethylamine In diethyl ether at 20℃;100%
In chloroform at 20℃; for 0.166667h;
3-((R)-3-Piperidin-2-yl-isoxazol-5-yl)-benzonitrile
956297-48-6

3-((R)-3-Piperidin-2-yl-isoxazol-5-yl)-benzonitrile

methyl thioisocyanate
556-61-6

methyl thioisocyanate

(R)-2-[5-(3-cyano-phenyl)-isoxazol-3-yl]-piperidine-1-carbothioic acid methylamide
956297-52-2

(R)-2-[5-(3-cyano-phenyl)-isoxazol-3-yl]-piperidine-1-carbothioic acid methylamide

Conditions
ConditionsYield
In chloroform at 20℃;100%
3-[3-(3-iodophenyl)-1,2,4-oxadiazol-5-yl]morpholine
863647-27-2

3-[3-(3-iodophenyl)-1,2,4-oxadiazol-5-yl]morpholine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

3-[3-(3-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-methylmorpholine-4-carbothioamide
863647-29-4

3-[3-(3-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-methylmorpholine-4-carbothioamide

Conditions
ConditionsYield
In chloroform at 20 - 60℃;100%
2-[5-(3-chloro-phenyl)-isoxazol-3-yl]-piperidine
863646-53-1

2-[5-(3-chloro-phenyl)-isoxazol-3-yl]-piperidine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

2-[5-(3-chloro-phenyl)-isoxazol-3-yl]-piperidine-1-carbothioic acid methylamide
863646-57-5

2-[5-(3-chloro-phenyl)-isoxazol-3-yl]-piperidine-1-carbothioic acid methylamide

Conditions
ConditionsYield
In dichloromethane at 20℃; for 12h;100%
3-[4-(3-amino-phenylsulfanyl)-2,3-bis-trifluoromethyl-phenyl]-1-morpholin-4-yl-propenone

3-[4-(3-amino-phenylsulfanyl)-2,3-bis-trifluoromethyl-phenyl]-1-morpholin-4-yl-propenone

methyl thioisocyanate
556-61-6

methyl thioisocyanate

C23H21F6N3O2S2

C23H21F6N3O2S2

Conditions
ConditionsYield
In tetrahydrofuran100%
(4R,5R)-2,2-dibutyl-4,5-dimethyl-1,3,2-dioxastannolane
88341-32-6

(4R,5R)-2,2-dibutyl-4,5-dimethyl-1,3,2-dioxastannolane

(4R,5R)-2,2-di-n-butyl-4,5-dimethyl-1,3,2-dioxastannolane
5271-63-6

(4R,5R)-2,2-di-n-butyl-4,5-dimethyl-1,3,2-dioxastannolane

methyl thioisocyanate
556-61-6

methyl thioisocyanate

A

cis-4,5-dimethyl-N-methyl-1,3-dioxolan-2-imine
134110-59-1

cis-4,5-dimethyl-N-methyl-1,3-dioxolan-2-imine

B

trans-4,5-dimethyl-N-methyl-1,3-dioxolan-2-imine
134110-60-4

trans-4,5-dimethyl-N-methyl-1,3-dioxolan-2-imine

C

di-n-butyltinmercaptid
4253-22-9

di-n-butyltinmercaptid

Conditions
ConditionsYield
In 1,2-dichloro-ethane addn.of PhNCS to a soln. of the Sn-compound under N2; stirred at 40°C for 1.0 h; solvent was removed in vac.; column chromy. (silica gel; eluent: C6H6); vac. distn.; elem. anal.; NMR; IR; mass spectra;A 100%
B 12%
C n/a
3-amino-1-(4-methoxyphenyl)propan-1-ol
148857-53-8

3-amino-1-(4-methoxyphenyl)propan-1-ol

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-(3-hydroxy-3-(4-methoxyphenyl)propyl)-3-methylthiourea
1467719-99-8

1-(3-hydroxy-3-(4-methoxyphenyl)propyl)-3-methylthiourea

Conditions
ConditionsYield
In dichloromethane at 0 - 20℃; for 24h;100%
methyl thioisocyanate
556-61-6

methyl thioisocyanate

benzylamine
100-46-9

benzylamine

1-methyl-3-benzyl thiourea
2740-94-5

1-methyl-3-benzyl thiourea

Conditions
ConditionsYield
at 20℃;99%
With ethanol
In methanol for 20h;
In dichloromethane for 2h; Ambient temperature;
isoniazid
54-85-3

isoniazid

methyl thioisocyanate
556-61-6

methyl thioisocyanate

4-methyl-1-(pyridine-4-yl-carbonyl)-thiosemicarbazide
4406-96-6

4-methyl-1-(pyridine-4-yl-carbonyl)-thiosemicarbazide

Conditions
ConditionsYield
In ethanol at 90℃; for 4h;99%
In ethanol for 0.416667h; Heating;95%
In isopropyl alcohol for 3h; Heating;93%
2-Amino-3-methoxy-17-oxoestra-1,3,5(10)-triene
13010-22-5

2-Amino-3-methoxy-17-oxoestra-1,3,5(10)-triene

methyl thioisocyanate
556-61-6

methyl thioisocyanate

N-Methyl-N'-(3-methoxy-17-oxoestra-1,3,5(10)-triene-2-yl)thiourea
96354-35-7

N-Methyl-N'-(3-methoxy-17-oxoestra-1,3,5(10)-triene-2-yl)thiourea

Conditions
ConditionsYield
In ethanol for 1.16667h; Heating;99%
Cyclohex-2-enol
822-67-3

Cyclohex-2-enol

methyl thioisocyanate
556-61-6

methyl thioisocyanate

(+/-)-methylthiocarbamic acid O-(cyclohex-2-enyl) ester
188400-02-4

(+/-)-methylthiocarbamic acid O-(cyclohex-2-enyl) ester

Conditions
ConditionsYield
Stage #1: Cyclohex-2-enol With sodium hydride In tetrahydrofuran at 0℃; for 1h;
Stage #2: methyl thioisocyanate In tetrahydrofuran at 0℃; for 1h; Further stages.;
99%
With sodium hydride In tetrahydrofuran at 0℃; for 1h;71%
With sodium hydride Yield given; Multistep reaction;
Stage #1: Cyclohex-2-enol With sodium hydride In tetrahydrofuran at 0℃; for 1h; Metallation;
Stage #2: methyl thioisocyanate In tetrahydrofuran at 0℃; for 1h; Addition;
5-amino-5-deoxy-1,2-O-isopropylidene-a-D-xylofuranose
4613-58-5, 25531-86-6, 25572-88-7

5-amino-5-deoxy-1,2-O-isopropylidene-a-D-xylofuranose

methyl thioisocyanate
556-61-6

methyl thioisocyanate

5-deoxy-1,2-O-isopropylidene-5-(N'-methylthioureido)-α-D-xylofuranose

5-deoxy-1,2-O-isopropylidene-5-(N'-methylthioureido)-α-D-xylofuranose

Conditions
ConditionsYield
With pyridine at 20℃; for 2.5h; Addition;99%
cis-4-[[3,5-bis(trifluoromethyl)benzyl]oxy]-3-phenylpiperidine hydrochloride

cis-4-[[3,5-bis(trifluoromethyl)benzyl]oxy]-3-phenylpiperidine hydrochloride

methyl thioisocyanate
556-61-6

methyl thioisocyanate

cis-4-[[3,5-bis(trifluoromethyl)benzyl]oxy]-N-methyl-3-phenyl-1-piperidinecarbothioamide

cis-4-[[3,5-bis(trifluoromethyl)benzyl]oxy]-N-methyl-3-phenyl-1-piperidinecarbothioamide

Conditions
ConditionsYield
With triethylamine In acetonitrile at 20℃; for 14h;99%
4-(4-fluorophenyl)-1-isopropyl-5-methyl-1H-imidazole 3-oxide
863485-14-7

4-(4-fluorophenyl)-1-isopropyl-5-methyl-1H-imidazole 3-oxide

methyl thioisocyanate
556-61-6

methyl thioisocyanate

[4-(4-fluorophenyl)-1-isopropyl-5-methyl-1H-imidazol-2-yl]methylamine
863485-15-8

[4-(4-fluorophenyl)-1-isopropyl-5-methyl-1H-imidazol-2-yl]methylamine

Conditions
ConditionsYield
In dichloromethane at 0 - 20℃; for 48h;99%
4-(1,1-dimethylethyl)-benzenemethanamine
39895-55-1

4-(1,1-dimethylethyl)-benzenemethanamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-(4-tert-butyl-benzyl)-3-methylthiourea
134232-39-6

1-(4-tert-butyl-benzyl)-3-methylthiourea

Conditions
ConditionsYield
at 20℃;99%
In acetonitrile72%
[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-[2-(2-fluoro-4-iodophenylamino)thieno[2,3-b]pyridin-3-yl]-methanone
1202067-94-4

[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-[2-(2-fluoro-4-iodophenylamino)thieno[2,3-b]pyridin-3-yl]-methanone

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-{(3S,4S)-1-[2-(2-fluoro-4-iodophenylamino)thieno[2,3-b]pyridine-3-carbonyl]-4-hydroxypyrrolidin-3-yl}-3-(methyl)thiourea
1202067-95-5

1-{(3S,4S)-1-[2-(2-fluoro-4-iodophenylamino)thieno[2,3-b]pyridine-3-carbonyl]-4-hydroxypyrrolidin-3-yl}-3-(methyl)thiourea

Conditions
ConditionsYield
In tetrahydrofuran for 18h;99%
2,4-Difluoro-benzylamine
72235-52-0

2,4-Difluoro-benzylamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-(2,4-difluorobenzyl)-3-methylthiourea
1400799-52-1

1-(2,4-difluorobenzyl)-3-methylthiourea

Conditions
ConditionsYield
at 20℃;99%
3-methyl-benzenemethanamine
100-81-2

3-methyl-benzenemethanamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-(3-methylbenzyl)-3-methylthiourea
92188-06-2

1-(3-methylbenzyl)-3-methylthiourea

Conditions
ConditionsYield
at 20℃;99%
ortho-methylbenzylamine
89-93-0

ortho-methylbenzylamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

1-(2-methylbenzyl)-3-methylthiourea
3911-45-3

1-(2-methylbenzyl)-3-methylthiourea

Conditions
ConditionsYield
at 20℃;99%
(S)-1-(4-methoxyphenyl)ethylamine
6298-96-0, 22038-86-4, 35600-82-9, 41851-59-6

(S)-1-(4-methoxyphenyl)ethylamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

S-(-)-1-[1-(4-methoxyphenyl)ethyl]-3-methylthiourea
1400799-59-8

S-(-)-1-[1-(4-methoxyphenyl)ethyl]-3-methylthiourea

Conditions
ConditionsYield
at 20℃;99%
(R)-1-(4-methoxyphenyl)ethylamine
6298-96-0, 22038-86-4, 35600-82-9, 41851-59-6

(R)-1-(4-methoxyphenyl)ethylamine

methyl thioisocyanate
556-61-6

methyl thioisocyanate

R-(+)-1-[1-(4-methoxyphenyl)ethyl]-3-methylthiourea
1400799-60-1

R-(+)-1-[1-(4-methoxyphenyl)ethyl]-3-methylthiourea

Conditions
ConditionsYield
at 20℃;99%
6-fluoro-4-methoxyquinoline-2-carbohydrazide
1444309-93-6

6-fluoro-4-methoxyquinoline-2-carbohydrazide

methyl thioisocyanate
556-61-6

methyl thioisocyanate

6-fluoro-4-methoxy-N′-(methylthiocarbamoyl)quinoline-2-carbohydrazide
1444309-95-8

6-fluoro-4-methoxy-N′-(methylthiocarbamoyl)quinoline-2-carbohydrazide

Conditions
ConditionsYield
In 1,4-dioxane for 1h; Reflux;99%

Methyl isothiocyanate Chemical Properties

Chemical Name: Methyl isothiocyanate
IUPAC NAME: Methylimino(sulfanylidene)methane
CAS No.: 556-61-6
EINECS: 209-132-5
RTECS: PA9625000
Molecular Formula: C2H3NS
Molecular Weight: 73.12 g/mol
Melting Point: 30-34 °C(lit.)
Density: 0.95 g/cm3 
Flash Point: 32.2 °C
Boiling Point: 107.8 °C at 760 mmHg 
Storage temp.: 2-8°C
Water Solubility: 7.6 g/L
Sensitive: Moisture Sensitive
Following is the structure of Isothiocyanatomethane (556-61-6):


Product Categories about Isothiocyanatomethane (556-61-6) are Organics ; Organic Building Blocks ; Sulfur Compounds ; Thiocyanates/Isothiocyanates ; Alpha sort ; Fungicides ; Herbicides ; H-MAlphabetic ; M ; META - METHPesticides&Metabolites ; NematicidesPesticides ; Others ; OthersPesticides&Metabolites
The chemical synonymous of Isothiocyanatomethane (556-61-6) are Akos Bbs-00004313 ; Isothiocyanatomethane ; Isothiocyanic acid methyl ester ; Methyl mustard-oil ; Methyl isothiocyanate ; mit ; Mitc ; Mustard oil

Methyl isothiocyanate Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MOD

    NNGADV    Nippon Noyaku Gakkaishi. 15 (1990),297.
2.    

eye-rbt 100 mg SEV

    NNGADV    Nippon Noyaku Gakkaishi. 15 (1990),297.
3.    

orl-wmn LDLo:1 g/kg:CNS

    BMJOAE    British Medical Journal. 283 (1981),18.
4.    

orl-rat LD50:72 mg/kg

    NNGADV    Nippon Noyaku Gakkaishi. 15 (1990),297.
5.    

ihl-rat LC50:1900 mg/m3/1H

    NNGADV    Nippon Noyaku Gakkaishi. 15 (1990),297.
6.    

ipr-rat LD50:54 mg/kg

    NNGADV    Nippon Noyaku Gakkaishi. 15 (1990),297.
7.    

scu-rat LD50:59 mg/kg

    NNGADV    Nippon Noyaku Gakkaishi. 15 (1990),297.
8.    

orl-mus LD50:90 mg/kg

    NNGADV    Nippon Noyaku Gakkaishi. 15 (1990),297.
9.    

skn-rat LD50:2780 mg/kg

    85DPAN    Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel Werner Perkow,Berlin, Germany.: Verlag Paul Parey,1971/76.
10.    

orl-mus LD50:97 mg/kg

    PCOC**    Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc. (Topeka, KS.: )1966,729.
 

Methyl isothiocyanate Consensus Reports

EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.

Methyl isothiocyanate Safety Profile

A poison by ingestion, skin contact, and subcutaneous routes. Very irritating to skin, eyes, and mucous membranes. Human systemic effects by ingestion: convulsions, change in motor activity, coma. An agricultural chemical and pesticide. Flammable when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also THIOCYANATES.
Hazard Codes:
T: Toxic
N: Dangerous for the environment
Risk Statements about Isothiocyanatomethane (556-61-6):
R23/25 Toxic by inhalation and if swallowed. 
R34 Causes burns. 
R43 May cause sensitization by skin contact. 
R50/53 Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements about Isothiocyanatomethane (556-61-6):
S36/37 Wear suitable protective clothing and gloves. 
S38 In case of insufficient ventilation, wear suitable respiratory equipment. 
S45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). 
S60 This material and its container must be disposed of as hazardous waste. 
S61 Avoid release to the environment. Refer to special instructions/safety data sheets. 
Attention:
1. Storage: Keep away from sources of ignition. Do not store in direct sunlight. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
2. Handling: Use spark-proof tools and explosion proof equipment. Loosen closure cautiously before opening. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
3. Reactivity Profile: Isocyanates and thioisocyanates, such as Methyl isothiocyanate, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Polyurethanes are formed by the condensation reaction of diisocyanates with, for example, ethyl glycol.

Methyl isothiocyanate Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid, Poison

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