Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Methanethiol, N-(3-(3-indolyl)propyl)amidino-, hydrogen thiosulfate
RN: 13514-27-7
InChIKey: TZMUWWOOCIMOBN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N3-O3-S2

Molecular Weight

  • 327.427
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • BRN 0443633
  • NSC 187499
  • S-((N-(3-(3-Indolyl)propyl)amidino)methyl) hydrogen thiosulfate

Systematic Names

  • Methanethiol, N-(3-(3-indolyl)propyl)amidino-, hydrogen thiosulfate
  • Thiosulfuric acid (H2S2O3), S-(2-imino-2-((3-(1H-indol-3-yl)propyl)amino)ethyl) ester (9CI)
  • Thiosulfuric acid, S-ester with N-(3-indol-3-ylpropyl)-2-mercaptoacetamidine (8CI)

Registry Numbers

CAS Registry Number

  • 13514-27-7

System Generated Number

  • 0013514277

Structure Descriptors

InChI

1S/C13H17N3O3S2/c14-13(9-20-21(17,18)19)15-7-3-4-10-8-16-12-6-2-1-5-11(10)12/h1-2,5-6,8,16H,3-4,7,9H2,(H2,14,15)(H,17,18,19)

InChIKey

TZMUWWOOCIMOBN-UHFFFAOYSA-N

Smiles

S(SCC(=N)NCCCc1c[nH]c2c1cccc2)(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 38mg/kg (38mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.