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Substance Name: Ethanethiol, 2-(4-(cyclohexen-3-ylbutyl)amino)-, hydrogen sulfate (ester)
RN: 19143-00-1
InChIKey: DRVHDTQUWCFVON-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H23-N-O3-S2

Molecular Weight

  • 293.45
 
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Names and Synonyms

Synonyms

  • 2-((4-Cyclohexen-3-ylbutyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2985552
  • S-2-((4-Cyclohexen-3-ylbutyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(4-(cyclohexen-3-ylbutyl)amino)-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 19143-00-1

System Generated Number

  • 0019143001

Structure Descriptors

InChI

1S/C12H23NO3S2/c14-18(15,16)17-11-10-13-9-5-4-8-12-6-2-1-3-7-12/h1-2,12-13H,3-11H2,(H,14,15,16)

InChIKey

DRVHDTQUWCFVON-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCC[C@@H]1CC=CCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.
mouse LD50 oral 900mg/kg (900mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.