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Substance Name: Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate
RN: 40283-97-4
InChIKey: VOLFUPQSGZPFLV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N2-O3-S3

Molecular Weight

  • 306.43
 
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Names and Synonyms

Synonyms

  • NSC 187543
  • S-((N-(2-Phenylthioethyl)amidino)methyl) hydrogen thiosulfate

Systematic Names

  • Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate
  • Thiosulfuric acid (H2S2O3), S-(2-imino-2-((2-(phenylthio)ethyl)amino)ethyl) ester (9CI)

Registry Numbers

CAS Registry Number

  • 40283-97-4

System Generated Number

  • 0040283974

Structure Descriptors

InChI

1S/C10H14N2O3S3/c11-10(8-17-18(13,14)15)12-6-7-16-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,11,12)(H,13,14,15)

InChIKey

VOLFUPQSGZPFLV-UHFFFAOYSA-N

Smiles

S(SCC(=N)NCCSc1ccccc1)(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 60mg/kg (60mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.