Product Name

  • Name

    THIOBENZAMIDE

  • EINECS 218-765-6
  • CAS No. 2227-79-4
  • Article Data187
  • CAS DataBase
  • Density 1.182 g/cm3
  • Solubility Slightly soluble in water.
  • Melting Point 113-117 °C(lit.)
  • Formula C7H7NS
  • Boiling Point 245 °C at 760 mmHg
  • Molecular Weight 137.205
  • Flash Point 102 °C
  • Transport Information UN 2811 6.1/PG 3
  • Appearance Yellowish-green crystalline powder
  • Safety 45
  • Risk Codes 25
  • Molecular Structure Molecular Structure of 2227-79-4 (THIOBENZAMIDE)
  • Hazard Symbols ToxicT
  • Synonyms Benzamide,thio- (6CI,7CI,8CI);Aminothiocarbonylbenzene;Benzenethiocarboxamide;Benzothioamide;Thiobenzamide;
  • PSA 58.11000
  • LogP 2.02110

Synthetic route

benzonitrile
100-47-0

benzonitrile

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With pyridine; diammonium sulfide; triethylamine In water at 50℃;100%
With sodium hydrogensulfide; diethyl amine hydrochloride In 1,4-dioxane; water at 55℃; for 6h;98%
With diisopropyldithiophosphoric acid In methanol at 60℃; for 4h;97%
benzamide
55-21-0

benzamide

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With alumina-supported P2S5 In tetrahydrofuran at 60℃; for 0.0833333h; Microwave irradiation;98%
With 2,4-{[3-[(CH2)5C8F17]-4-MeO-phenyl]}2-P2S2 2,4-disulfide In tetrahydrofuran for 1.5h;97%
With 2,4-bis(4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyloxy)phenyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide In tetrahydrofuran at 55℃; for 4h;94%
5-phenyl-3H-1,2,4-dithiazole-3-one
7047-10-1

5-phenyl-3H-1,2,4-dithiazole-3-one

A

hydrogen sulfide
7783-06-4

hydrogen sulfide

B

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With carbonic anhydrase from bovine erythrocytes; GLUTATHIONE In aq. phosphate buffer; dimethyl sulfoxide at 20℃; for 4h; pH=7.4; Reagent/catalyst; Enzymatic reaction;A n/a
B 98%
thiobenzoyl (5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphinan-2-yl) sulfide
463962-26-7

thiobenzoyl (5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphinan-2-yl) sulfide

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With pyridine; ammonium hydroxide In benzene Thioacylation;95%
With ammonium hydroxide In benzene94.5%
morpholine
110-91-8

morpholine

2-thioxo-4-thiazolidinone
141-84-4

2-thioxo-4-thiazolidinone

benzamide
55-21-0

benzamide

A

2-morpholin-4-yl-2-thiazole-4(5H)-one
16781-67-2

2-morpholin-4-yl-2-thiazole-4(5H)-one

B

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With MCM-41 mesoporous silica In ethanol; water for 8h; Reagent/catalyst; Solvent; Temperature; Time; Reflux; Green chemistry;A n/a
B 89%
Benzaldoxime
932-90-1

Benzaldoxime

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With ammonium sulfide; trichlorotitanium(IV) trifluoromethanesulfonate; 1-n-butyl-3-methylimidazolim bromide at 80℃; for 1h; Ionic liquid; chemoselective reaction;87%
Multi-step reaction with 3 steps
1: trichlorothiophosphine; water; triethylamine / 70 - 75 °C / Neat (no solvent)
2: trichlorothiophosphine; water; triethylamine / 80 - 85 °C / Neat (no solvent)
3: water / 2.5 h / 80 - 85 °C / Neat (no solvent)
View Scheme
benzaldehyde
100-52-7

benzaldehyde

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With hydroxylamine hydrochloride; sodium acetate; O,O-Diethyl hydrogen phosphorodithioate In 1,4-dioxane at 80 - 90℃; for 3h; Inert atmosphere;85%
Stage #1: benzaldehyde With ammonia; iodine In water at 20℃; for 0.5h; Green chemistry;
Stage #2: With O,O-Diethyl hydrogen phosphorodithioate In water at 90℃; for 2h; Solvent; Temperature; Time; Green chemistry;
85%
With sulfur; ammonium acetate In N,N-dimethyl-formamide at 100℃; for 5h; Green chemistry;83%
thiobenzoylhydrazine
20605-40-7

thiobenzoylhydrazine

2-diethylamino-5-phenyl-1,3,4-dithiazolium perchlorate

2-diethylamino-5-phenyl-1,3,4-dithiazolium perchlorate

A

N,N-diethyl-5-phenyl-1,3,4-thiadiazol-2-amine
96134-33-7

N,N-diethyl-5-phenyl-1,3,4-thiadiazol-2-amine

B

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With triethylamine In acetonitrile for 1h; Ambient temperature;A 78%
B 84%
2,5-diphenyl-1,3,4-dithiazolinium perchlorate

2,5-diphenyl-1,3,4-dithiazolinium perchlorate

2-amino-benzenethiol
137-07-5

2-amino-benzenethiol

A

2-Phenylbenzothiazole
883-93-2

2-Phenylbenzothiazole

B

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
In acetonitrile Ambient temperature;A 83%
B 53%
benzonitrile
100-47-0

benzonitrile

O,O-Diethyl hydrogen phosphorodithioate
298-06-6

O,O-Diethyl hydrogen phosphorodithioate

A

N-(O,O-diethylthiophosphoryl)thiobenzamide
68206-76-8

N-(O,O-diethylthiophosphoryl)thiobenzamide

B

O,O-diethyl-N-thiobenzoylamidophosphate
71039-20-8

O,O-diethyl-N-thiobenzoylamidophosphate

C

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
In water at 80℃; for 1.5h;A 4.2%
B 4.1%
C 82.5%
benzyl chloride
100-44-7

benzyl chloride

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With sulfur; formamide; sodium hydroxide at 100℃; for 8h; Schlenk technique;79%
benzyl alcohol
100-51-6

benzyl alcohol

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With caesium bromide; salicylaldehyde; sulfur; potassium hydroxide at 20℃; for 12h; Inert atmosphere;75.8%
N-(4-methylphenyl)thiobenzamide
5373-55-7

N-(4-methylphenyl)thiobenzamide

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In water at 25℃; for 48h; regioselective reaction;74%
2-Cyan-3-phenyl-3-thiobenzoylamido-acrylsaeureethylester
101185-06-2

2-Cyan-3-phenyl-3-thiobenzoylamido-acrylsaeureethylester

A

2-cyano-3-amino-3-phenyl acrylic acid ethyl ester
3336-69-4

2-cyano-3-amino-3-phenyl acrylic acid ethyl ester

B

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With ammonium acetate In methanol for 0.0833333h; Heating;A 71%
B 48%
benzylamine
100-46-9

benzylamine

A

N-benzyl-benzenecarbothioamide
14309-89-8

N-benzyl-benzenecarbothioamide

B

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With sulfur at 170℃; for 0.25h; Microwave irradiation; neat (no solvent);A 71%
B 2.4%
2-Phenyl-5,6-dihydro-1,3,5-thiadiazine-4,6-dione
80784-80-1

2-Phenyl-5,6-dihydro-1,3,5-thiadiazine-4,6-dione

A

benzonitrile
100-47-0

benzonitrile

B

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

C

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With sodium hydroxide at 25℃; for 1h; Product distribution; other thiadiazinediones; var. pH;A 8%
B 14%
C 65%
4,4-diethyl-thiosemicarbazide
21198-48-1

4,4-diethyl-thiosemicarbazide

2-diethylamino-5-phenyl-1,3,4-dithiazolium perchlorate

2-diethylamino-5-phenyl-1,3,4-dithiazolium perchlorate

A

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

B

2,5-bis(diethylamino)-1,3,4-thiadiazole

2,5-bis(diethylamino)-1,3,4-thiadiazole

Conditions
ConditionsYield
With triethylamine In water for 0.5h; Ambient temperature;A 55%
B 63%
O,O'-ethylene bis(hydrogen methylphosphonodithioate)
90889-28-4

O,O'-ethylene bis(hydrogen methylphosphonodithioate)

benzonitrile
100-47-0

benzonitrile

A

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

B

2,4-dimethyl-1,5,3,2,4-dioxathiadiphosphepane 2,4-disulfide

2,4-dimethyl-1,5,3,2,4-dioxathiadiphosphepane 2,4-disulfide

Conditions
ConditionsYield
In tetrachloromethane for 72h; Ambient temperature;A 63%
B 25%
benzonitrile
100-47-0

benzonitrile

O,O'-trimethylene bis(hydrogen methylphosphonodithioate)
106814-54-4

O,O'-trimethylene bis(hydrogen methylphosphonodithioate)

A

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

B

2,4-dimethyl-1,4,3,2,4-dioxathiadiphosphocane 2,4-disulfide

2,4-dimethyl-1,4,3,2,4-dioxathiadiphosphocane 2,4-disulfide

Conditions
ConditionsYield
In tetrachloromethane Ambient temperature;A 63%
B 7%
5-Dimethylamino-3-phenyl-[1,4,2]dithiazol-1-ylium; perchlorate

5-Dimethylamino-3-phenyl-[1,4,2]dithiazol-1-ylium; perchlorate

A

5-dimethylamino-3-phenyl-1,2,4-thiadiazole
35547-63-8

5-dimethylamino-3-phenyl-1,2,4-thiadiazole

B

1,1-dimethyl-2-thiourea
6972-05-0

1,1-dimethyl-2-thiourea

C

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With ammonium hydroxide In water for 12h; Ambient temperature;A 1%
B 62%
C 27%
N-(O,O-diethylthiophosphoryl)thiobenzamide
68206-76-8

N-(O,O-diethylthiophosphoryl)thiobenzamide

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With water at 80℃; for 3h;60%
benzonitrile
100-47-0

benzonitrile

O,O-Diethyl hydrogen phosphorodithioate
298-06-6

O,O-Diethyl hydrogen phosphorodithioate

A

N-(O,O-diethylthiophosphoryl)thiobenzamide
68206-76-8

N-(O,O-diethylthiophosphoryl)thiobenzamide

B

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
at 80℃; for 2h;A 58%
B 16%
at 80℃; for 2h;A 58%
B 9.1%
acetic acid
64-19-7

acetic acid

benzonitrile
100-47-0

benzonitrile

O,O-diisopropyl hydrogen phosphorodithioate
107-56-2

O,O-diisopropyl hydrogen phosphorodithioate

A

O,O,O,O-tetraisopropyl pyrophosphorotrithioate
3253-29-0

O,O,O,O-tetraisopropyl pyrophosphorotrithioate

B

S-acetyl O,O-diisopropyl phosphorodithioate
24420-17-5

S-acetyl O,O-diisopropyl phosphorodithioate

C

N-(diisopropoxythiophosphoryl)thiobenzamide
66078-55-5

N-(diisopropoxythiophosphoryl)thiobenzamide

D

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
for 120h; Mechanism; Ambient temperature; other nucleophiles;A n/a
B n/a
C n/a
D 54%
benzonitrile
100-47-0

benzonitrile

O,O-diisopropyl hydrogen phosphorodithioate
107-56-2

O,O-diisopropyl hydrogen phosphorodithioate

A

O,O,O,O-tetraisopropyl pyrophosphorotrithioate
3253-29-0

O,O,O,O-tetraisopropyl pyrophosphorotrithioate

B

S-acetyl O,O-diisopropyl phosphorodithioate
24420-17-5

S-acetyl O,O-diisopropyl phosphorodithioate

C

N-(diisopropoxythiophosphoryl)thiobenzamide
66078-55-5

N-(diisopropoxythiophosphoryl)thiobenzamide

D

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With acetic acid for 120h; Ambient temperature; Yields of byproduct given;A n/a
B n/a
C n/a
D 54%
thiobenzoylurea
5499-30-9

thiobenzoylurea

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With sodium hydroxide Heating;53%
Thiobenzoyl-thiophosphoramidic acid O,O'-dimethyl ester
105314-02-1

Thiobenzoyl-thiophosphoramidic acid O,O'-dimethyl ester

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With water at 80℃; for 3h;50%
benzonitrile
100-47-0

benzonitrile

O,O-diisopropyl hydrogen phosphorodithioate
107-56-2

O,O-diisopropyl hydrogen phosphorodithioate

A

N-(diisopropoxythiophosphoryl)thiobenzamide
66078-55-5

N-(diisopropoxythiophosphoryl)thiobenzamide

B

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
In diethyl ether for 456h; Ambient temperature; Yields of byproduct given;A 46%
B n/a
at 20℃; for 9h;A 44%
B 28%
2-diethylamino-5-phenyl-1,3,4-dithiazolium perchlorate

2-diethylamino-5-phenyl-1,3,4-dithiazolium perchlorate

A

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

B

3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine
14478-73-0

3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine

C

2,5-bis(diethylamino)-1,3,4-thiadiazole

2,5-bis(diethylamino)-1,3,4-thiadiazole

Conditions
ConditionsYield
With hydrazine hydrate In water for 2h; Ambient temperature;A 30%
B 3%
C 43%
benzamide
55-21-0

benzamide

A

benzonitrile
100-47-0

benzonitrile

B

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Conditions
ConditionsYield
With triethylamine; trichlorophosphate In water at 65 - 75℃; for 0.1h; microwave irradiation;A n/a
B 43%
benzenecarbothioamide
2227-79-4

benzenecarbothioamide

3,5-diphenyl-[1,2,4]thiadiazole
4115-15-5

3,5-diphenyl-[1,2,4]thiadiazole

Conditions
ConditionsYield
With p-toluene sulfinic acid In water at 80℃; for 4.5h;100%
With 1,3-dibromo-5,5-diphenylimidazolidine-2,4-dione; water at 20℃; for 0.0833333h; neat (no solvent);99%
With tert-butylhypochlorite In tetrachloromethane for 0.0833333h; Ambient temperature;98%
benzenecarbothioamide
2227-79-4

benzenecarbothioamide

methyl iodide
74-88-4

methyl iodide

S-methyl thioimidate of benzoic acid
40780-81-2

S-methyl thioimidate of benzoic acid

Conditions
ConditionsYield
In acetone for 5h; Heating / reflux;100%
Ambient temperature;98%
In acetone Ambient temperature;
2-Chlormethylen-α-tetralon
21916-15-4

2-Chlormethylen-α-tetralon

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

Thiobenzimidic acid 1-oxo-3,4-dihydro-1H-naphthalen-(2Z)-ylidenemethyl ester; compound with perchloric acid
83251-64-3

Thiobenzimidic acid 1-oxo-3,4-dihydro-1H-naphthalen-(2Z)-ylidenemethyl ester; compound with perchloric acid

Conditions
ConditionsYield
With perchloric acid In acetic acid100%
N-[2-(4-bromoacetyl-phenyl)-ethyl]-acetamide
416860-02-1

N-[2-(4-bromoacetyl-phenyl)-ethyl]-acetamide

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

N-[2-[4-(2-Phenyl-thiazol-4-yl)-phenyl]-ethyl}-acetamide

N-[2-[4-(2-Phenyl-thiazol-4-yl)-phenyl]-ethyl}-acetamide

Conditions
ConditionsYield
In ethanol100%
In ethanol at 80℃; for 3h;
3-(phenylsulfanyl)-1-(thiophen-2-yl)prop-2-yn-1-ol
1062602-35-0

3-(phenylsulfanyl)-1-(thiophen-2-yl)prop-2-yn-1-ol

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

2-phenyl-5-(phenylsulfanyl)-4-(2-thienylmethyl)-thiazole
1167412-44-3

2-phenyl-5-(phenylsulfanyl)-4-(2-thienylmethyl)-thiazole

Conditions
ConditionsYield
With tetra(n-butyl)ammonium hydrogensulfate; scandium tris(trifluoromethanesulfonate) In nitromethane; water for 0.166667h; Reflux; regioselective reaction;100%
With tetra(n-butyl)ammonium hydrogensulfate; scandium tris(trifluoromethanesulfonate) In nitromethane; water for 0.166667h; Reflux;
1-(4-fluorophenyl)-3-(phenylsulfanyl)prop-2-yn-1-ol
1167412-36-3

1-(4-fluorophenyl)-3-(phenylsulfanyl)prop-2-yn-1-ol

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

4-(4-fluorobenzyl)-2-phenyl-5-(phenylsulfanyl)thiazole
1167412-41-0

4-(4-fluorobenzyl)-2-phenyl-5-(phenylsulfanyl)thiazole

Conditions
ConditionsYield
With tetra(n-butyl)ammonium hydrogensulfate; scandium tris(trifluoromethanesulfonate) In nitromethane; water for 0.166667h; Reflux; regioselective reaction;100%
With tetra(n-butyl)ammonium hydrogensulfate; scandium tris(trifluoromethanesulfonate) In nitromethane; water for 0.166667h; Reflux;
2-bromo-3'-methoxyacetophenone
5000-65-7

2-bromo-3'-methoxyacetophenone

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

C16H13NOS
1013593-35-5

C16H13NOS

Conditions
ConditionsYield
With caesium carbonate In N,N-dimethyl-formamide at 100℃; for 8h; Reflux;100%
C26H38BrN3O7
1308396-68-0

C26H38BrN3O7

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

C33H42N4O6S

C33H42N4O6S

Conditions
ConditionsYield
In tetrahydrofuran at 65℃; for 1h;100%
benzenecarbothioamide
2227-79-4

benzenecarbothioamide

benzonitrile
100-47-0

benzonitrile

Conditions
ConditionsYield
With oxygen; sodium hydroxide In tetrahydrofuran; water at 20℃; for 3h;99%
With p-methoxybenzenetellurinic acid anhydride In dichloromethane for 0.5h; Ambient temperature;95%
With bis(4-methoxyphenyl)telluride; tetrabutylammonium acetate In water; acetonitrile electrolysis;95%
isobutyryl chloride
79-30-1

isobutyryl chloride

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

N-Isobutyroyl-thiobenzamid
42123-88-6

N-Isobutyroyl-thiobenzamid

Conditions
ConditionsYield
With pyridine; dmap In acetonitrile99%
With pyridine
2-chloroethanal
107-20-0

2-chloroethanal

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

2-phenylthiazole
1826-11-5

2-phenylthiazole

Conditions
ConditionsYield
In ethanol at 95℃; for 3h;99%
With acetic anhydride In toluene Heating;79%
In ethanol for 3h; Reflux;74%
2-Chloroacrylic acid
598-79-8

2-Chloroacrylic acid

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

S-(2-Carboxy-2-chlorethyl)thiobenzamid-hydrochlorid
116077-21-5

S-(2-Carboxy-2-chlorethyl)thiobenzamid-hydrochlorid

Conditions
ConditionsYield
With hydrogenchloride In benzonitrile for 14h; Ambient temperature;99%
benzenecarbothioamide
2227-79-4

benzenecarbothioamide

methyl 3-(bromoacetyl)azulene-1-carboxylate
490039-00-4

methyl 3-(bromoacetyl)azulene-1-carboxylate

methyl 3-(2-phenylthiazol-4-yl)azulene-1-carboxylate

methyl 3-(2-phenylthiazol-4-yl)azulene-1-carboxylate

Conditions
ConditionsYield
With 4 A molecular sieve In ethanol for 1h; Hantzsch reaction; Heating;99%
methanol
67-56-1

methanol

C17H22BrNO5

C17H22BrNO5

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

2-benzyloxycarbonylamino-3-(2-phenyl-thiazol-4-yl)-propionic acid methyl ester
845907-84-8

2-benzyloxycarbonylamino-3-(2-phenyl-thiazol-4-yl)-propionic acid methyl ester

Conditions
ConditionsYield
for 12h; Heating / reflux;99%
bromopyruvic acid
1113-59-3

bromopyruvic acid

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

2-phenyl-1,3-thiazole-4-carboxylic acid
7113-10-2

2-phenyl-1,3-thiazole-4-carboxylic acid

Conditions
ConditionsYield
In 1,4-dioxane for 2h; Heating / reflux;99%
In 1,4-dioxane at 110℃; for 2h;0.8 g
1,1-bis(p-fluorophenyl)-3-(phenylsulfanyl)prop-2-yn-1-ol
1253754-43-6

1,1-bis(p-fluorophenyl)-3-(phenylsulfanyl)prop-2-yn-1-ol

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

4-[bis(p-fluorophenyl)methyl]-2-phenyl-5-(phenylsulfanyl)-1,3-thiazole
1253754-71-0

4-[bis(p-fluorophenyl)methyl]-2-phenyl-5-(phenylsulfanyl)-1,3-thiazole

Conditions
ConditionsYield
With tetra(n-butyl)ammonium hydrogensulfate; scandium tris(trifluoromethanesulfonate) In nitromethane; water for 0.166667h; Reflux;99%
benzenecarbothioamide
2227-79-4

benzenecarbothioamide

1,3-Benzothiazole
95-16-9

1,3-Benzothiazole

Conditions
ConditionsYield
With water; caesium carbonate for 0.166667h; Microwave irradiation;99%
1,3-Dichloroacetone
534-07-6

1,3-Dichloroacetone

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

2-phenyl-4-chloromethylthiazole
4771-31-7

2-phenyl-4-chloromethylthiazole

Conditions
ConditionsYield
In ethanol for 4h; Reflux;98%
In ethanol for 2h; Reflux;90%
Stage #1: 1,3-Dichloroacetone; benzenecarbothioamide In acetone Inert atmosphere; Reflux;
Stage #2: With sulfuric acid for 0.5h; Inert atmosphere;
85%
N-(p-tolylsulfonyl)dibenzylselenimide
55986-20-4

N-(p-tolylsulfonyl)dibenzylselenimide

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

A

dibenzyl selenide
1842-38-2

dibenzyl selenide

B

toluene-4-sulfonamide
70-55-3

toluene-4-sulfonamide

C

benzonitrile
100-47-0

benzonitrile

Conditions
ConditionsYield
In methanol for 0.5h; Mechanism; Ambient temperature;A 98%
B 98%
C 81%
benzenecarbothioamide
2227-79-4

benzenecarbothioamide

N,N-dimethylacetamide diethyl acetal
19429-85-7

N,N-dimethylacetamide diethyl acetal

N1,N1-dimethyl-N2-thiobenzoylacetamidine
67229-59-8, 102254-71-7

N1,N1-dimethyl-N2-thiobenzoylacetamidine

Conditions
ConditionsYield
98%
methyl 2-chloroacrylate
80-63-7

methyl 2-chloroacrylate

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

S-<2-Chlor-2-(methoxycarbonyl)ethyl>thiobenzamid-hydrochlorid
116077-23-7

S-<2-Chlor-2-(methoxycarbonyl)ethyl>thiobenzamid-hydrochlorid

Conditions
ConditionsYield
With hydrogenchloride In dichloromethane for 72h; Ambient temperature;98%
benzenecarbothioamide
2227-79-4

benzenecarbothioamide

o-bromoacetylbenzophenone
33027-12-2

o-bromoacetylbenzophenone

4-(2-benzoylphenyl)-2-phenylthiazole

4-(2-benzoylphenyl)-2-phenylthiazole

Conditions
ConditionsYield
In 1,4-dioxane Ambient temperature;98%
benzenecarbothioamide
2227-79-4

benzenecarbothioamide

2-Bromo-4'-methoxyacetophenone
2632-13-5

2-Bromo-4'-methoxyacetophenone

4-(4′-methoxyphenyl)-2-phenylthiazole
2362-68-7

4-(4′-methoxyphenyl)-2-phenylthiazole

Conditions
ConditionsYield
In ethylene glycol at 20℃; for 0.0833333h;98%
In ethanol Hantzsch thiazole synthesis; Heating;
at 20℃; for 0.0833333h; grinding; neat (no solvent);
C11H17NO2S*ClH
1611471-28-3

C11H17NO2S*ClH

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

5-(2-methylpropyl)-2-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
1056261-39-2

5-(2-methylpropyl)-2-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Conditions
ConditionsYield
In neat (no solvent) Microwave irradiation;98%
benzenecarbothioamide
2227-79-4

benzenecarbothioamide

3-bromo-1-phenyl-1-propenyl bromide
4392-24-9

3-bromo-1-phenyl-1-propenyl bromide

3-phenylallyl benzimidothioate hydrobromide

3-phenylallyl benzimidothioate hydrobromide

Conditions
ConditionsYield
In tetrahydrofuran at 67℃; Inert atmosphere;98%
4-hydroxy[1]benzopyran-2-one
1076-38-6

4-hydroxy[1]benzopyran-2-one

phenylglyoxal hydrate
1074-12-0

phenylglyoxal hydrate

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

3‐(2,4‐diphenylthiazol‐5‐yl)‐4‐hydroxy‐2H‐chromen‐2‐one

3‐(2,4‐diphenylthiazol‐5‐yl)‐4‐hydroxy‐2H‐chromen‐2‐one

Conditions
ConditionsYield
With SBA-15*AEPH2-HPA In water at 50℃; for 0.25h; Catalytic behavior; Solvent; Temperature; Time; Green chemistry;98%
With vitamin B1 stabilized on Fe3O4 magnetic nanoparticles In water at 80℃; for 0.583333h; Catalytic behavior; Reagent/catalyst; Temperature; Solvent; Time; Green chemistry;93%
phenylglyoxal hydrate
1074-12-0

phenylglyoxal hydrate

dimedone
126-81-8

dimedone

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

2-(2,4-diphenylthiazol-5-yl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one

2-(2,4-diphenylthiazol-5-yl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one

Conditions
ConditionsYield
With SBA-15*AEPH2-HPA In water at 50℃; for 0.25h; Green chemistry;98%
With vitamin B1 stabilized on Fe3O4 magnetic nanoparticles In water at 80℃; for 0.666667h; Green chemistry;84%
2-Aminobenzyl alcohol
5344-90-1

2-Aminobenzyl alcohol

benzenecarbothioamide
2227-79-4

benzenecarbothioamide

2-phenyl-4H-benzo[d][1,3]thiazine
224300-14-5

2-phenyl-4H-benzo[d][1,3]thiazine

Conditions
ConditionsYield
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide In ethyl acetate at 25℃; for 0.333333h;98%

BENZENECARBOTHIOAMIDE Chemical Properties

Molecular Structure of BENZENECARBOTHIOAMIDE (2227-79-4):

IUPAC Name: benzenecarbothioamide
Molecular Formula: C7H7NS
Molecular Weight: 137.20218 g/mol
XLogP3: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 0
Canonical SMILES: C1=CC=C(C=C1)C(=S)N
InChI: InChI=1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
InChIKey: QIOZLISABUUKJY-UHFFFAOYSA-N
Index of Refraction: 1.652
Molar Refractivity: 42.44 cm3
Molar Volume: 116 cm3
Surface Tension: 60.2 dyne/cm
Density: 1.182 g/cm3
Flash Point: 102 °C
Boiling Point: 245 °C at 760 mmHg
Melting Point: 113-117 °C(lit.)
Enthalpy of Vaporization: 48.21 kJ/mol
Vapour Pressure: 0.0294 mmHg at 25 °C
Water Solubility: 4.678e+004 mg/L at 25 °C 
BRN: 606021

BENZENECARBOTHIOAMIDE Toxicity Data With Reference

1.    

mnt-mus-orl 180 µmol/kg

    MUREAV    Mutation Research, 192 (1987),141.
2.    

orl-mus LD50:95 mg/kg

    THERAP    Therapie, 8 (1953),237.
3.    

ipr-mus LD50:500 mg/kg

    PCJOAU    Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN, 11 (1977),1383.

BENZENECARBOTHIOAMIDE Consensus Reports

Reported in EPA TSCA Inventory.

BENZENECARBOTHIOAMIDE Safety Profile

The safety information of BENZENECARBOTHIOAMIDE (2227-79-4):
Hazard Codes: T
Risk Statements: 25
25: Toxic if swallowed
Safety Statements: 45
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: CV5860000
HazardClass: 6.1
PackingGroup: III
Poison by ingestion. Moderately toxic by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx.

BENZENECARBOTHIOAMIDE Specification

   BENZENECARBOTHIOAMIDE (2227-79-4) is yellowish-green crystalline powder with some other names such as Benzamide, thio- ; Benzothiamide ; Benzothioamide ; Phenylthioamide ; thio-benzamid ; Tiobenzamide ; THIOBENZAMIDE ; AKOS BBS-00004779 ,etc. According to its characteristics of molecular structural, it belongs to many categories such as phenyls;organic building blocks;sulfur compounds;thiocarbonyl compounds. Make sure store this product in a tightly closed container in a cool, dry place.

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