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Substance Name: 1-Pyrrolidineethanethioamide, N-(2-phenylethyl)-2-thioxo-
RN: 127040-60-2
InChIKey: SVYMFFQOQWQIIQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-N2-S2

Molecular Weight

  • 278.4422
 
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Names and Synonyms

Synonyms

  • 1-Thiocarboxymethylpyrrolidine-2-thione N-(beta-phenylethyl)amide
  • BRN 4255280
  • N-(2-Phenylethyl)-2-thioxo-1-pyrrolidineethanethioamide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 127040-60-2

System Generated Number

  • 0127040602

Structure Descriptors

InChI

1S/C14H18N2S2/c17-13(11-16-10-4-7-14(16)18)15-9-8-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,15,17)

InChIKey

SVYMFFQOQWQIIQ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCNC(=S)CN2CCCC2=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 803, 1989.