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Substance Name: Ethanethiol, 2-phenethylamino-, hydrogen sulfate (ester)
RN: 953-22-0
InChIKey: OPXLJUFZIAHIOA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H15-N-O3-S2

Molecular Weight

  • 261.365
 
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Names and Synonyms

Synonyms

  • 2-Phenethylaminoethanethiol hydrogen sulfate (ester)
  • BRN 2731447
  • Thiosulfuric acid, S-(2-(phenethylamino)ethyl) ester
  • WR 2456

Systematic Name

  • Ethanethiol, 2-phenethylamino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 953-22-0

System Generated Number

  • 0000953220

Structure Descriptors

InChI

1S/C10H15NO3S2/c12-16(13,14)15-9-8-11-7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,12,13,14)

InChIKey

OPXLJUFZIAHIOA-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCc1ccccc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.