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Substance Name: Ethanethiol, 2-(4-(p-cyclohexylphenoxy)butyl)amino-, hydrogen sulfate (ester)
RN: 21220-77-9
InChIKey: JJQPAXLGQXCSHZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N-O4-S2

Molecular Weight

  • 387.562
 
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Names and Synonyms

Synonyms

  • 2-((4-(p-Cyclohexylphenoxy)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • S-2-((4-(p-Cyclohexylphenoxy)butyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(4-(p-cyclohexylphenoxy)butyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21220-77-9

System Generated Number

  • 0021220779

Structure Descriptors

InChI

1S/C18H29NO4S2/c20-25(21,22)24-15-13-19-12-4-5-14-23-18-10-8-17(9-11-18)16-6-2-1-3-7-16/h8-11,16,19H,1-7,12-15H2,(H,20,21,22)

InChIKey

JJQPAXLGQXCSHZ-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCOc1ccc(cc1)C1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.