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Substance Name: Propanoic acid, 3-(hexylthio)-2-methyl-, ammonium salt
RN: 126740-37-2
InChIKey: APLQFMZCSHMBPX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H19-O2-S.H4-N

Molecular Weight

  • 221.3627
 
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Names and Synonyms

Synonym

  • 3-(Hexylthio)-2-methylpropanoic acid ammonium salt

Systematic Name

  • Propanoic acid, 3-(hexylthio)-2-methyl-, ammonium salt

Registry Numbers

CAS Registry Number

  • 126740-37-2

System Generated Number

  • 0126740372

Molecular Formulas

Molecular Formula

  • C10-H19-O2-S.H4-N

Molecular Formula Fragments

  • C10-H19-O2-S
  • COMPONENT
  • H4-N

Structure Descriptors

InChI

1S/C10H20O2S.H3N/c1-3-4-5-6-7-13-8-9(2)10(11)12;/h9H,3-8H2,1-2H3,(H,11,12);1H3

InChIKey

APLQFMZCSHMBPX-UHFFFAOYSA-N

Smiles

CCCCCCSCC(C)C(=O)[O-].[NH4+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1340mg/kg (1340mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 987, 1989.