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Substance Name: 1-Pyrrolidineethanethioamide, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)-2-thioxo-
RN: 126647-16-3
InChIKey: CJWVDKJZEARXDT-KAMYIIQDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N3-S2

Molecular Weight

  • 283.4619
 
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Names and Synonyms

Synonyms

  • 1-(N-(1-Methylhexahydroazepinyl-2-ene)thiocarbamidomethyl)pyrrolidine-2-thione
  • BRN 4256064

Systematic Name

  • 1-Pyrrolidineethanethioamide, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)-2-thioxo-

Registry Numbers

CAS Registry Number

  • 126647-16-3

System Generated Number

  • 0126647163

Structure Descriptors

InChI

1S/C13H21N3S2/c1-15-8-4-2-3-6-11(15)14-12(17)10-16-9-5-7-13(16)18/h2-10H2,1H3/b14-11-

InChIKey

CJWVDKJZEARXDT-KAMYIIQDSA-N

Smiles

CN\1CCCCC/C1=N/C(=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. 869, 1989.