Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Methanethiol, (1-amino-1-cyclohexyl)-, hydrogen sulfate (ester)
RN: 13893-13-5
InChIKey: LPGUQYVNJVQJBE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H15-N-O3-S2

Molecular Weight

  • 225.331
 
* 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 2724837
  • S-1-Aminocyclohexanemethylthiosulfuric acid
  • Thiosulfuric acid, S-(1-amino-1-cyclohexylmethyl) ester
  • WR 2579

Systematic Names

  • Methanethiol, (1-amino-1-cyclohexyl)-, hydrogen sulfate (ester)
  • Thiosulfuric acid (H2S2O3), S-((1-aminocyclohexyl)methyl) ester (9CI)

Registry Numbers

CAS Registry Number

  • 13893-13-5

System Generated Number

  • 0013893135

Structure Descriptors

InChI

1S/C7H15NO3S2/c8-7(4-2-1-3-5-7)6-12-13(9,10)11/h1-6,8H2,(H,9,10,11)

InChIKey

LPGUQYVNJVQJBE-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCC1(CCCCC1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 911, 1966.