Methyldithiocarbamidsaeure-ethylester
A
methyl thioisocyanate
B
ethanethiol
Conditions | Yield |
---|---|
at 250 - 260℃; | A 96% B n/a |
sodium N-methyldithiocarbamate
N-phenyl-benzimidoyl chloride
A
methyl thioisocyanate
B
N-Phenylbenzothioamide
Conditions | Yield |
---|---|
In diethyl ether 0 deg C to r.t.; | A 51% B 95% |
O,O-(1,2-dimethylethylene) S-(trimethylsilyl) phosphorodithioate
A
4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide
B
methyl thioisocyanate
Conditions | Yield |
---|---|
With methyl isocyanate for 24h; Ambient temperature; then distillation; | A 90% B 92% |
methyl isocyanate
A
4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide
B
methyl thioisocyanate
Conditions | Yield |
---|---|
With O,O-(1,2-dimethylethylene) S-(trimethylsilyl) phosphorodithioate for 24h; | A 90% B 92% |
A
4,5-dimethyl-2-trimethylsiloxy-1,3,2λ5-dioxaphospholane-2-sulfide
B
methyl thioisocyanate
Conditions | Yield |
---|---|
for 24h; Ambient temperature; then distillation; | A 90% B 92% |
carbon disulfide
N-methyl-P,P,P-triphenylphosphine imide
methyl thioisocyanate
Conditions | Yield |
---|---|
In benzene for 2h; Heating; | 80% |
Conditions | Yield |
---|---|
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
A
((C6H5)2GeS)2
B
methyl thioisocyanate
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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
phenyl isothiocyanate
A
((C6H5)2GeS)2
B
(C2N3Ge)(C6H5)4(S)2CH3
C
methyl thioisocyanate
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
Ambient temperature; | 20% |
2-iodo-propane
N,N'-dimethylthioperoxydicarbamic acid
A
diisopropyl sulfide
B
methyl thioisocyanate
methyl thiocyanate
A
2,4,6-tris(methylthio)-1,3,5-triazine
B
methyl thioisocyanate
Conditions | Yield |
---|---|
With hydrogenchloride at 180 - 185℃; | |
With sulfuric acid at 180 - 185℃; |
Conditions | Yield |
---|---|
beim Erhitzen; | |
With cadmium(II) iodide | |
With sulfuric acid |
Conditions | Yield |
---|---|
With water | |
With ethanol |
Conditions | Yield |
---|---|
beim Erhitzen; |
Conditions | Yield |
---|---|
beim Erhitzen unter gewoehnlichem Druck; |
potassium thioacyanate
tertamethylammonium iodide
A
methyl thiocyanate
B
methyl thioisocyanate
C
trimethylamine
Conditions | Yield |
---|---|
at 210℃; |
Conditions | Yield |
---|---|
With chloroform; water | |
With calcium carbonate In dichloromethane; water at 20℃; for 2h; |
carbon disulfide
N-methyl-P,P,P-triphenylphosphine imide
A
methyl thioisocyanate
B
triphenylphosphine sulfide
Conditions | Yield |
---|---|
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; |
Conditions | Yield |
---|---|
at 298℃; under 0.3 Torr; Rate constant; |
O-methyl N,N-dimethylthiocarbamate
A
dimethylsulfide
B
N-methylmethanimine
C
S-methyl dimethylthiocarbamate
D
methyl isocyanate
E
methyl thioisocyanate
Conditions | Yield |
---|---|
at 769.9℃; Product distribution; gas-phase pyrolysis and isomerisation; |
S-methyl dimethylthiocarbamate
A
dimethylsulfide
B
N-methylmethanimine
C
methyl isocyanate
D
methyl thioisocyanate
Conditions | Yield |
---|---|
at 769.9℃; Product distribution; gas-phase pyrolysis; |
3-ethylidene-pentane-2,4-dione
dimethyl phosphoroisothiocyanatidite
A
methyl thioisocyanate
B
3,5-dimethyl-2-methoxy-2-oxo-4-acetyl-1,2-oxaphosphol-4-ene
Conditions | Yield |
---|---|
at -5 - 0℃; overnight; Yield given. Yields of byproduct given; |
methyl isocyanate
methyl thioisocyanate
Conditions | Yield |
---|---|
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
methyl thioisocyanate
1-(4-methoxyphenyl)-3-methyl-thiourea
Conditions | Yield |
---|---|
at 20℃; for 24h; Addition; solid-phase reaction; | 100% |
With ethanol | |
In ethanol for 1h; Heating; | |
In ethanol Reflux; |
Conditions | Yield |
---|---|
at 0℃; under 375.03 Torr; Addition; solid-gas reaction; | 100% |
Conditions | Yield |
---|---|
With ammonia at 0℃; under 375.03 Torr; Addition; solid-gas reaction; | 100% |
With ammonia | 89% |
With ammonium hydroxide | 85% |
oxalyl dichloride
methyl thioisocyanate
3-methyl-2,2-dichlorothiazolidine-4,5-dione
Conditions | Yield |
---|---|
Ambient temperature; other alkyloxalylchloride, other isocyanates and isothiocyanates; | 100% |
Ambient temperature; | 100% |
methyl thioisocyanate
2-carbomethoxyaniline
2-mercapto-3-methyl-3,4-dihydroquinazolin-4-one
Conditions | Yield |
---|---|
In neat (no solvent) for 72h; Ambient temperature; | 100% |
4-chloro-aniline
methyl thioisocyanate
1-(4-chloro-phenyl)-3-methyl-thiourea
Conditions | Yield |
---|---|
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
4-bromo-aniline
1-(4-bromophenyl)-3-methyl-thiourea
Conditions | Yield |
---|---|
at 20℃; for 24h; Addition; solid-phase reaction; | 100% |
In ethanol for 1h; Heating; |
Conditions | Yield |
---|---|
at 0℃; under 375.03 Torr; Addition; solid-gas reaction; | 100% |
1-methyl-piperazine
methyl thioisocyanate
N,4-dimethylpiperazine-1-carbothioamide
Conditions | Yield |
---|---|
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
methyl thioisocyanate
(R)-2-[5-(3-cyano-phenyl)-isoxazol-3-yl]-piperidine-1-carbothioic acid methylamide
Conditions | Yield |
---|---|
In chloroform at 20℃; | 100% |
3-[3-(3-iodophenyl)-1,2,4-oxadiazol-5-yl]morpholine
methyl thioisocyanate
3-[3-(3-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-methylmorpholine-4-carbothioamide
Conditions | Yield |
---|---|
In chloroform at 20 - 60℃; | 100% |
2-[5-(3-chloro-phenyl)-isoxazol-3-yl]-piperidine
methyl thioisocyanate
2-[5-(3-chloro-phenyl)-isoxazol-3-yl]-piperidine-1-carbothioic acid methylamide
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 12h; | 100% |
methyl thioisocyanate
Conditions | Yield |
---|---|
In tetrahydrofuran | 100% |
(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
methyl thioisocyanate
A
cis-4,5-dimethyl-N-methyl-1,3-dioxolan-2-imine
B
trans-4,5-dimethyl-N-methyl-1,3-dioxolan-2-imine
C
di-n-butyltinmercaptid
Conditions | Yield |
---|---|
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
methyl thioisocyanate
1-(3-hydroxy-3-(4-methoxyphenyl)propyl)-3-methylthiourea
Conditions | Yield |
---|---|
In dichloromethane at 0 - 20℃; for 24h; | 100% |
Conditions | Yield |
---|---|
at 20℃; | 99% |
With ethanol | |
In methanol for 20h; | |
In dichloromethane for 2h; Ambient temperature; |
isoniazid
methyl thioisocyanate
4-methyl-1-(pyridine-4-yl-carbonyl)-thiosemicarbazide
Conditions | Yield |
---|---|
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
methyl thioisocyanate
N-Methyl-N'-(3-methoxy-17-oxoestra-1,3,5(10)-triene-2-yl)thiourea
Conditions | Yield |
---|---|
In ethanol for 1.16667h; Heating; | 99% |
Cyclohex-2-enol
methyl thioisocyanate
(+/-)-methylthiocarbamic acid O-(cyclohex-2-enyl) ester
Conditions | Yield |
---|---|
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
methyl thioisocyanate
Conditions | Yield |
---|---|
With pyridine at 20℃; for 2.5h; Addition; | 99% |
methyl thioisocyanate
Conditions | Yield |
---|---|
With triethylamine In acetonitrile at 20℃; for 14h; | 99% |
4-(4-fluorophenyl)-1-isopropyl-5-methyl-1H-imidazole 3-oxide
methyl thioisocyanate
[4-(4-fluorophenyl)-1-isopropyl-5-methyl-1H-imidazol-2-yl]methylamine
Conditions | Yield |
---|---|
In dichloromethane at 0 - 20℃; for 48h; | 99% |
4-(1,1-dimethylethyl)-benzenemethanamine
methyl thioisocyanate
1-(4-tert-butyl-benzyl)-3-methylthiourea
Conditions | Yield |
---|---|
at 20℃; | 99% |
In acetonitrile | 72% |
[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-[2-(2-fluoro-4-iodophenylamino)thieno[2,3-b]pyridin-3-yl]-methanone
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
Conditions | Yield |
---|---|
In tetrahydrofuran for 18h; | 99% |
2,4-Difluoro-benzylamine
methyl thioisocyanate
1-(2,4-difluorobenzyl)-3-methylthiourea
Conditions | Yield |
---|---|
at 20℃; | 99% |
3-methyl-benzenemethanamine
methyl thioisocyanate
1-(3-methylbenzyl)-3-methylthiourea
Conditions | Yield |
---|---|
at 20℃; | 99% |
ortho-methylbenzylamine
methyl thioisocyanate
1-(2-methylbenzyl)-3-methylthiourea
Conditions | Yield |
---|---|
at 20℃; | 99% |
(S)-1-(4-methoxyphenyl)ethylamine
methyl thioisocyanate
S-(-)-1-[1-(4-methoxyphenyl)ethyl]-3-methylthiourea
Conditions | Yield |
---|---|
at 20℃; | 99% |
(R)-1-(4-methoxyphenyl)ethylamine
methyl thioisocyanate
R-(+)-1-[1-(4-methoxyphenyl)ethyl]-3-methylthiourea
Conditions | Yield |
---|---|
at 20℃; | 99% |
6-fluoro-4-methoxyquinoline-2-carbohydrazide
methyl thioisocyanate
6-fluoro-4-methoxy-N′-(methylthiocarbamoyl)quinoline-2-carbohydrazide
Conditions | Yield |
---|---|
In 1,4-dioxane for 1h; Reflux; | 99% |
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
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. | ||
EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.
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.
DOT Classification: 3; Label: Flammable Liquid, Poison
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