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Substance Name: Ethanethiol, 2-benzylamino-, hydrogen sulfate (ester)
RN: 949-96-2
InChIKey: BDWRWXCLAKVGMM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H13-N-O3-S2

Molecular Weight

  • 247.338
 
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Names and Synonyms

Synonyms

  • 2-Benzylaminoethanethiol hydrogen sulfate (ester)
  • BRN 2649201

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 949-96-2

System Generated Number

  • 0000949962

Structure Descriptors

InChI

1S/C9H13NO3S2/c11-15(12,13)14-7-6-10-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,11,12,13)

InChIKey

BDWRWXCLAKVGMM-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCc1ccccc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.