Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Propanoic acid, 3-(methylsulfonyl)-
RN: 645-83-0
InChIKey: ODUCCTTZGHSNKX-UHFFFAOYSA-N

Molecular Formula

  • C4-H8-O4-S

Molecular Weight

  • 152.169
 
* 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

  • 4-03-00-00727 (Beilstein Handbook Reference)
  • BRN 1764384
  • Methylsulfonyl propionic acid
  • MSPA
  • Propionic acid, 3-(methylsulfonyl)-

Systematic Name

  • Propanoic acid, 3-(methylsulfonyl)-

Registry Numbers

CAS Registry Number

  • 645-83-0

System Generated Number

  • 0000645830

Structure Descriptors

InChI

1S/C4H8O4S/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)

InChIKey

ODUCCTTZGHSNKX-UHFFFAOYSA-N

Smiles

CS(CCC(O)=O)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 30, Pg. 242, 1971.