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Substance Name: Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate
RN: 40284-00-2
InChIKey: CZGYJVKTYKYBAG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N2-O3-S3

Molecular Weight

  • 320.456
 
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Names and Synonyms

Synonyms

  • NSC 187486
  • S-((N-(2-(p-Tolylthio)ethyl)amidino)methyl) hydrogen thiosulfate

Systematic Names

  • Methanethiol, N-(2-(p-tolylthio)ethyl)amidino-, hydrogen thiosulfate
  • Thiosulfuric acid (H2S2O3), S-(2-imino-2-((2-((4-methylphenyl)thio)ethyl)amino)ethyl) ester (9CI)

Registry Numbers

CAS Registry Number

  • 40284-00-2

System Generated Number

  • 0040284002

Structure Descriptors

InChI

1S/C11H16N2O3S3/c1-9-2-4-10(5-3-9)17-7-6-13-11(12)8-18-19(14,15)16/h2-5H,6-8H2,1H3,(H2,12,13)(H,14,15,16)

InChIKey

CZGYJVKTYKYBAG-UHFFFAOYSA-N

Smiles

S(SCC(=N)NCCSc1ccc(cc1)C)(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 53mg/kg (53mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 350mg/kg (350mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.