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Substance Name: Ethanethiol, 2-((2-(p-chlorophenyl)butyl)amino)-, hydrogen sulfate (ester)
RN: 21224-50-0
InChIKey: NUKCDCVMEGFTDA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-Cl-N-O3-S2

Molecular Weight

  • 323.863
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21224-50-0

System Generated Number

  • 0021224500

Structure Descriptors

InChI

1S/C12H18ClNO3S2/c1-2-10(11-3-5-12(13)6-4-11)9-14-7-8-18-19(15,16)17/h3-6,10,14H,2,7-9H2,1H3,(H,15,16,17)

InChIKey

NUKCDCVMEGFTDA-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNC[C@@H](CC)c1ccc(cc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.