Propanoic acid, 3-((((phenylmethyl)amino)thioxomethyl)thio)-, methyl ester

Modify Date: 2025-08-26 11:30:01

Propanoic acid, 3-((((phenylmethyl)amino)thioxomethyl)thio)-, methyl ester Structure
Propanoic acid, 3-((((phenylmethyl)amino)thioxomethyl)thio)-, methyl ester structure
 Common Name Propanoic acid, 3-((((phenylmethyl)amino)thioxomethyl)thio)-, methyl ester
CAS Number 56624-44-3 Molecular Weight 269.38300
Density 1.227g/cm3 Boiling Point 397.9ºC at 760 mmHg
Molecular Formula C12H15NO2S2 Melting Point N/A
MSDS N/A Flash Point 194.5ºC

 Names

Name methyl 3-(benzylcarbamothioylsulfanyl)propanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.227g/cm3
Boiling Point 397.9ºC at 760 mmHg
Molecular Formula C12H15NO2S2
Molecular Weight 269.38300
Flash Point 194.5ºC
Exact Mass 269.05400
PSA 95.72000
LogP 2.74830
Index of Refraction 1.598
InChIKey RMIDAWHSPFYENA-UHFFFAOYSA-N
SMILES COC(=O)CCSC(=S)NCc1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UF5272000
CHEMICAL NAME :
Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid
CAS REGISTRY NUMBER :
56624-44-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H15-N-O2-S2
MOLECULAR WEIGHT :
269.40

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 :
1590 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARPMAS Archiv der Pharmazie (Weinheim, Germany) (VCH Pub., Inc., 303 NW 12th Ave., Deerfield Beach, FL 33441) V.51-261, 1835-1923; V.305- 1972- Volume(issue)/page/year: 309,161,1976

 Synonyms

Propionic acid,3-mercapto-,methyl ester,ester with benzyldithiocarbamic acid
3-benzylthiocarbamoylsulfanyl-propionic acid methyl ester
Propanoic acid,3-((((phenylmethyl)amino)thioxomethyl)thio)-,methyl ester
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Chemsrc provides CAS#:56624-44-3 MSDS, density, melting point, boiling point, structure, etc. Its name is Propanoic acid, 3-((((phenylmethyl)amino)thioxomethyl)thio)-, methyl ester>> amp version: Propanoic acid, 3-((((phenylmethyl)amino)thioxomethyl)thio)-, methyl ester

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