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Substance Name: 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo-
RN: 127040-59-9
InChIKey: XILVAHDUUXIJSI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-N2-S2

Molecular Weight

  • 264.4154
 
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Names and Synonyms

Synonyms

  • 1-Thiocarboxymethylpyrrolidine-2-thione
  • BRN 4254579
  • N-(Phenylmethyl)-2-thioxo-1-pyrrolidineethanethioamide

Systematic Name

  • 1-Pyrrolidineethanethioamide, N-(phenylmethyl)-2-thioxo-

Registry Numbers

CAS Registry Number

  • 127040-59-9

System Generated Number

  • 0127040599

Structure Descriptors

InChI

1S/C13H16N2S2/c16-12(10-15-8-4-7-13(15)17)14-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,16)

InChIKey

XILVAHDUUXIJSI-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CNC(=S)CN2CCCC2=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 803, 1989.