Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Methylsulfinylmethyl 2-acetoxybenzoate
RN: 76432-33-2
InChIKey: ZUYDNEVBJGMSGH-UHFFFAOYSA-N

Note

  • Aspirin prodrug.

Molecular Weight

  • 256.277
 
* 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

Name of Substance

  • Methylsulfinylmethyl 2-acetoxybenzoate

Synonym

  • MSMAB

Systematic Name

  • Benzoic acid, 2-(acetyloxy)-, (methylsulfinyl)methyl ester

Registry Numbers

CAS Registry Number

  • 76432-33-2

System Generated Number

  • 0076432332

Structure Descriptors

InChI

1S/C11H12O5S/c1-8(12)16-10-6-4-3-5-9(10)11(13)15-7-17(2)14/h3-6H,7H2,1-2H3

InChIKey

ZUYDNEVBJGMSGH-UHFFFAOYSA-N

Smiles

C(c1c(cccc1)OC(=O)C)(=O)OC[S@@](=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.11 (none)   EXP
Water Solubility 4230 mg/L 21 EXP
Vapor Pressure 7.08E-05 mm Hg 25 EST
Henry's Law Constant 2.81E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.34E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.