Thiobenzamide

Modify Date: 2025-08-24 16:42:48

Thiobenzamide Structure
Thiobenzamide structure
Common Name Thiobenzamide
CAS Number 2227-79-4 Molecular Weight 137.202
Density 1.2±0.1 g/cm3 Boiling Point 245.0±23.0 °C at 760 mmHg
Molecular Formula C7H7NS Melting Point 113-117 °C(lit.)
MSDS Chinese USA Flash Point 102.0±22.6 °C
Symbol GHS06
GHS06
Signal Word Danger

 Names

Name benzenecarbothioamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 245.0±23.0 °C at 760 mmHg
Melting Point 113-117 °C(lit.)
Molecular Formula C7H7NS
Molecular Weight 137.202
Flash Point 102.0±22.6 °C
Exact Mass 137.029922
PSA 58.11000
LogP 1.49
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.653
InChIKey QIOZLISABUUKJY-UHFFFAOYSA-N
SMILES NC(=S)c1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CV5860000
CHEMICAL NAME :
Benzamide, thio-
CAS REGISTRY NUMBER :
2227-79-4
LAST UPDATED :
199806
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C7-H7-N-S
MOLECULAR WEIGHT :
137.21
WISWESSER LINE NOTATION :
ZYR&US

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
95 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6300 mg/kg/15W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - multiple effects Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
13 gm/kg/38W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
13300 mg/kg/38W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
180 umol/kg
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 192,141,1987

 Safety Information

Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H301
Precautionary Statements P301 + P310
Personal Protective Equipment Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes Xn:Harmful;
Risk Phrases R25
Safety Phrases S45
RIDADR UN 2811 6.1/PG 3
WGK Germany 3
RTECS CV5860000
Packaging Group III
Hazard Class 6.1
HS Code 2930909090

 Synthetic Route

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Articles28

More Articles
Cytotoxic activity of 3-(5-phenyl-3H-[1,2,4]dithiazol-3-yl)chromen-4-ones and 4-oxo-4H-chromene-3-carbothioic acid N-phenylamides.

Eur. J. Med. Chem. 45 , 790-4, (2010)

6/6,7-Substituted-3-formylchromones (8a-g) were reacted with 2 equivalents thiobenzamide (9) in refluxing toluene to furnish substituted-3-(5-phenyl-3H-[1,2,4]dithiazol-3-yl)chromen-4-ones (10a-g) in ...

Potent inhibition of alcohol self-administration in alcohol-preferring rats by a κ-opioid receptor antagonist.

J. Pharmacol. Exp. Ther. 350(1) , 171-80, (2014)

A substituted aryl amide derivative of 6-naltrexamine--17-cyclopropylmethyl-3,14β-dihydroxy-4,5α-epoxy-6β-[(4'-trimethylfluoro)benzamido]morphinan-hydrochloride--(compound 5), previously shown to be a...

Facile synthesis of nitriles via manganese oxide promoted oxidative dehydrosulfurization of primary thioamides.

Chem. Commun. (Camb.) 48(91) , 11247-9, (2012)

In the presence of manganese oxides, dehydrosulfurization of various kinds of primary thioamides including aromatic, heterocyclic, and aliphatic ones efficiently proceeded to give the corresponding ni...

 ThiobenzamideBioassay

View more

Name: Drug degradation in phosphate buffer assessed as H2S release by measuring test compou...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4191701
Name: Drug degradation in phosphate buffer assessed as H2S release by measuring H2S Cmax at...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4191702
Name: Inhibition of tyrosinase in mouse B16F10 cells assessed as reduction of melanin produ...
Source: ChEMBL
Target: Tyrosinase
External Id: CHEMBL3743604
Name: Cytotoxicity against mouse B16F10 cells assessed as cell survival at 50 uM after 48 h...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3743603
Name: Binding affinity to mushroom tyrosinase assessed as fluorescence quenching
Source: ChEMBL
Target: Polyphenol oxidase 2
External Id: CHEMBL3743602
Name: Inhibition of tyrosinase in mouse B16F10 cell lysates using DOPA as substrate relativ...
Source: ChEMBL
Target: Tyrosinase
External Id: CHEMBL3743607
Name: Inhibition of tyrosinase in mouse B16F10 cells assessed as reduction of melanin produ...
Source: ChEMBL
Target: Tyrosinase
External Id: CHEMBL3743606
Name: Release of H2S in buffer at 0.5 to 3 mM measured for 24 hrs by lead acetate method
Source: ChEMBL
Target: N/A
External Id: CHEMBL5350603
Name: Inhibition of tyrosinase in mouse B16F10 cells assessed as reduction of melanin produ...
Source: ChEMBL
Target: Tyrosinase
External Id: CHEMBL3743605
Name: Antipruritic effect in mouse assessed as reduction in histamine-induced itching durat...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL5350618
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 Synonyms

Benzenecarbothioamide
EINECS 218-765-6
phenylthioamide
MFCD00008060
Benzamide,thio
Benzenecarbimidothioic acid
aminophenylmethane-1-thione
Thiobenzamide
Benzenecarboximidothioic acid
Benzothioamide
Benzothiamide
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