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Substance Name: Propanoic acid, 3-(hexylthio)-, ammonium salt
RN: 126740-30-5
InChIKey: HGJJEWTYRJRJAW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H17-O2-S.H4-N

Molecular Weight

  • 207.3359
 
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Names and Synonyms

Synonym

  • Hexylthioproprionic acid ammonium salt

Systematic Name

  • Propanoic acid, 3-(hexylthio)-, ammonium salt

Registry Numbers

CAS Registry Number

  • 126740-30-5

System Generated Number

  • 0126740305

Molecular Formulas

Molecular Formula

  • C9-H17-O2-S.H4-N

Molecular Formula Fragments

  • C9-H17-O2-S
  • COMPONENT
  • H4-N

Structure Descriptors

InChI

1S/C9H18O2S.H3N/c1-2-3-4-5-7-12-8-6-9(10)11;/h2-8H2,1H3,(H,10,11);1H3

InChIKey

HGJJEWTYRJRJAW-UHFFFAOYSA-N

Smiles

CCCCCCSCCC(=O)[O-].[NH4+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 120mg/kg (120mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 713, 1991.