Hot Products

Basic Information

Post buying leads

Suppliers

Cas Database

Name	BENZENECARBOTHIOAMIDE	EINECS	218-765-6
CAS No.	2227-79-4	Density	1.182 g/cm³
PSA	58.11000	LogP	2.02110
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		Hazard Symbols	T
Synonyms	Benzamide,thio- (6CI,7CI,8CI);Aminothiocarbonylbenzene;Benzenethiocarboxamide;Benzothioamide;Thiobenzamide;	Article Data	187

BENZENECARBOTHIOAMIDE Synthetic route

: 100-47-0
benzonitrile

: 2227-79-4
benzenecarbothioamide

Conditions

Conditions	Yield
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%

: 55-21-0
benzamide

: 2227-79-4
benzenecarbothioamide

Conditions

Conditions	Yield
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%

: 7047-10-1
5-phenyl-3H-1,2,4-dithiazole-3-one

A: 7783-06-4
hydrogen sulfide

B: 2227-79-4
benzenecarbothioamide

Conditions

Conditions	Yield
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%

: 463962-26-7
thiobenzoyl (5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphinan-2-yl) sulfide

: 2227-79-4
benzenecarbothioamide

Conditions

Conditions	Yield
With pyridine; ammonium hydroxide In benzene Thioacylation;	95%
With ammonium hydroxide In benzene	94.5%

: 110-91-8
morpholine

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

: 55-21-0
benzamide

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

B: 2227-79-4
benzenecarbothioamide

Conditions

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

: 932-90-1
Benzaldoxime

: 2227-79-4
benzenecarbothioamide

Conditions

Conditions	Yield
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

: 100-52-7
benzaldehyde

: 2227-79-4
benzenecarbothioamide

Conditions

Conditions	Yield
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%

: 20605-40-7
thiobenzoylhydrazine

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

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

B: 2227-79-4
benzenecarbothioamide

Conditions

Conditions	Yield
With triethylamine In acetonitrile for 1h; Ambient temperature;	A 78% B 84%

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

: 137-07-5
2-amino-benzenethiol

A: 883-93-2
2-Phenylbenzothiazole

B: 2227-79-4
benzenecarbothioamide

Conditions

Conditions	Yield
In acetonitrile Ambient temperature;	A 83% B 53%

: 100-47-0
benzonitrile

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

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

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

C: 2227-79-4
benzenecarbothioamide

Conditions

Conditions	Yield
In water at 80℃; for 1.5h;	A 4.2% B 4.1% C 82.5%

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 NO_x and SO_x.

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.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 2227-79-4