Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Propionic acid, 3-mercapto-, dithiocarbanilate
RN: 4094-44-4
InChIKey: SQMXIYKGSSMYER-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H11-N-O2-S2

Molecular Weight

  • 241.334
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-12-00-00250 (Beilstein Handbook Reference)
  • beta-(Anilino-thiocarbonyl-mercapto)-propionsaeure
  • beta-(Anilino-thiocarbonyl-mercapto)-propionsaeure [German]
  • BRN 2115585
  • NSC 40452

Systematic Name

  • Propionic acid, 3-mercapto-, dithiocarbanilate

Registry Numbers

CAS Registry Number

  • 4094-44-4

System Generated Number

  • 0004094444

Structure Descriptors

InChI

1S/C10H11NO2S2/c12-9(13)6-7-15-10(14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)

InChIKey

SQMXIYKGSSMYER-UHFFFAOYSA-N

Smiles

C(Nc1ccccc1)(=S)SCCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 345mg/kg (345mg/kg)   Archiv der Pharmazie Vol. 309, Pg. 161, 1976.