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Substance Name: Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1)
RN: 109795-71-3
InChIKey: CYFYQBRWBBSAKB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C3-H6-O-S2.C6-H13-N

Molecular Weight

  • 221.3871
 
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Names and Synonyms

Synonyms

  • 3-Mercaptopropanethioic acid compd. with cyclohexanamine (1:1)
  • Cyclohexyl beta-mercaptothiolpropionate

Systematic Name

  • Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1)

Registry Numbers

CAS Registry Number

  • 109795-71-3

System Generated Number

  • 0109795713

Molecular Formulas

Molecular Formula

  • C3-H6-O-S2.C6-H13-N

Molecular Formula Fragments

  • C3-H6-O-S2
  • C6-H13-N
  • COMPONENT

Structure Descriptors

InChI

1S/C6H13N.C3H6OS2/c7-6-4-2-1-3-5-6;4-3(6)1-2-5/h6H,1-5,7H2;5H,1-2H2,(H,4,6)

InChIKey

CYFYQBRWBBSAKB-UHFFFAOYSA-N

Smiles

C1CCC(CC1)N.C(CS)C(=S)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 14500ug/kg (14.5mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 104, 1987.