Cas no 24590-50-9 (1,3-Propanediol,1-methanesulfonate)

1,3-Propanediol,1-methanesulfonate structure
24590-50-9 structure
Product Name:1,3-Propanediol,1-methanesulfonate
CAS No:24590-50-9
MF:C4H10O4S
MW:154.184800624847
CID:264283
PubChem ID:168183
Update Time:2025-04-19

1,3-Propanediol,1-methanesulfonate Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediol,1-methanesulfonate
    • 3-hydroxypropyl methanesulfonate
    • 24590-50-9
    • DXIYLWSDOMVIEQ-UHFFFAOYSA-N
    • 3-hydroxy-1-propyl methanesulfonate
    • SCHEMBL5049329
    • DTXSID10179337
    • 1,3-Propanediol, monomethoanesulfonate
    • Inchi: 1S/C4H10O4S/c1-9(6,7)8-4-2-3-5/h5H,2-4H2,1H3
    • InChI Key: DXIYLWSDOMVIEQ-UHFFFAOYSA-N
    • SMILES: S(C)(=O)(=O)OCCCO

Computed Properties

  • Exact Mass: 154.03
  • Monoisotopic Mass: 154.03
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 142
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.7
  • Topological Polar Surface Area: 72?2

Experimental Properties

  • Density: 1.29
  • Boiling Point: 341.2°Cat760mmHg
  • Flash Point: 160.2°C
  • Refractive Index: 1.458
  • PSA: 63.6
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