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Substance Name: Ethanethiol, 2-isopropylamino-, hydrogen sulfate (ester)
RN: 929-08-8
InChIKey: HDIYFZDHQUQHER-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H13-N-O3-S2

Molecular Weight

  • 199.294
 
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Names and Synonyms

Synonyms

  • 2-Isopropylaminoethanethiol hydrogen sulfate (ester)
  • BRN 2356932

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 929-08-8

System Generated Number

  • 0000929088

Structure Descriptors

InChI

1S/C5H13NO3S2/c1-5(2)6-3-4-10-11(7,8)9/h5-6H,3-4H2,1-2H3,(H,7,8,9)

InChIKey

HDIYFZDHQUQHER-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNC(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 270mg/kg (270mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.