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Substance Name: Methanethiol, N-cyclopentylamidino-, hydrogen thiosulfate
RN: 40283-53-2
InChIKey: HSQOAMOZLVFMKV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H14-N2-O3-S2

Molecular Weight

  • 238.331
 
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Names and Synonyms

Synonyms

  • BRN 3959215
  • NSC 193462
  • S-((N-Cyclopentylamidino)methyl) hydrogen thiosulfate

Systematic Names

  • Methanethiol, N-cyclopentylamidino-, hydrogen thiosulfate
  • Thiosulfuric acid (H2S2O3), S-(2-(cyclopentylamino)-2-iminoethyl) ester (9CI)

Registry Numbers

CAS Registry Number

  • 40283-53-2

System Generated Number

  • 0040283532

Structure Descriptors

InChI

1S/C7H14N2O3S2/c8-7(5-13-14(10,11)12)9-6-3-1-2-4-6/h6H,1-5H2,(H2,8,9)(H,10,11,12)

InChIKey

HSQOAMOZLVFMKV-UHFFFAOYSA-N

Smiles

S(SCC(NC1CCCC1)=N)(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 85mg/kg (85mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.