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

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Names

[ CAS No. ]:
56624-44-3

[ Name ]:
Propanoic acid, 3-((((phenylmethyl)amino)thioxomethyl)thio)-, methyl ester

[Synonym ]:
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

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

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Carbon disulphide
  • acrylic acid methyl ester
  • Benzylamine
  • 3-Benzyltetrahydro-2-thioxo-4H-1,3-thiazin-4-on
  • Sodium Methylate
  • Methanol

DownStream

Related Compounds

  • (R)-1-Benzyl-3-ethynylpyrrolidin-3-ol
  • Tert-butyl 2-chloro-5-(pyridin-2-yl)benzoate hydrochloride
  • N-(7-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)-2,2,2-trifluoroacetamide
  • N-[1-(3-cyano-4,6-dimethylpyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
  • N-(4-methoxyphenyl)-2-{4-[(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]piperidin-1-yl}acetamide
  • 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
  • N-Cyclopropyl-1-(pyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
  • N-cyclopropyl-1-{thieno[3,2-d]pyrimidin-4-yl}piperidine-4-carboxamide
  • (2S)-4-(3-fluoropyridin-2-yl)butan-2-ol
  • 2-(But-3-yn-2-yl)-1,3-difluoro-4-nitrobenzene
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