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Substance Name: Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)-
RN: 73791-07-8
InChIKey: CLSSVUOUSYOGKL-UHFFFAOYSA-N

Molecular Formula

  • C14-H13-N3-O-S

Molecular Weight

  • 271.343
 
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Names and Synonyms

Synonyms

  • Acetamide, N-(3,3-dicyano-2-(4-(methylthio)phenyl)-2-propenyl)-
  • alpha-Cyano-beta-acetamidomethyl-4-methylmercaptocinnamonitrile

Systematic Name

  • Cinnamonitrile, beta-acetamidomethyl-alpha-cyano-p-(methylthio)-

Registry Numbers

CAS Registry Number

  • 73791-07-8

System Generated Number

  • 0073791078

Structure Descriptors

InChI

1S/C14H13N3OS/c1-10(18)17-9-14(12(7-15)8-16)11-3-5-13(19-2)6-4-11/h3-6H,9H2,1-2H3,(H,17,18)

InChIKey

CLSSVUOUSYOGKL-UHFFFAOYSA-N

Smiles

C(\c1ccc(SC)cc1)(=C(\C#N)C#N)CNC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01837,