Cas no 63671-71-6 (Propanoic acid, 2-mercapto-, octyl ester)

Propanoic acid, 2-mercapto-, octyl ester structure
63671-71-6 structure
Product Name:Propanoic acid, 2-mercapto-, octyl ester
CAS No:63671-71-6
MF:C11H22O2S
MW:218.356182575226
CID:1655967
Update Time:2024-09-12

Propanoic acid, 2-mercapto-, octyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 2-mercapto-, octyl ester
    • Inchi: 1S/C11H22O2S/c1-3-4-5-6-7-8-9-13-11(12)10(2)14/h10,14H,3-9H2,1-2H3
    • InChI Key: SFHANYOFMGEJCT-UHFFFAOYSA-N
    • SMILES: C(OCCCCCCCC)(=O)C(S)C

Computed Properties

  • Exact Mass: 218.13416

Experimental Properties

  • Density: 0.957±0.06 g/cm3(Predicted)
  • Boiling Point: 288.6±13.0 °C(Predicted)
  • PSA: 26.3
  • pka: 8.41±0.10(Predicted)
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