Cas no 28553-80-2 (Propanesulfonic acid)

Propanesulfonic acid structure
Propanesulfonic acid structure
Product Name:Propanesulfonic acid
CAS No:28553-80-2
MF:C3H8O3S
MW:124.158820152283
CID:264691
PubChem ID:78938
Update Time:2025-04-19

Propanesulfonic acid Chemical and Physical Properties

Names and Identifiers

    • Propanesulfonic acid
    • propylsulfonic acid
    • NCIStruc1_001874
    • NSC-87882
    • FT-0721162
    • Propanesulphonic acid
    • NCIStruc2_000257
    • propane-1-sulphonic acid
    • 1-Propanesulfonic acid
    • CCG-37762
    • NCGC00097027-01
    • CHEMBL1741924
    • CS-0204485
    • EINECS 226-114-2
    • propane-1-sulfonicacid
    • MFCD00041889
    • KCXFHTAICRTXLI-UHFFFAOYSA-N
    • NSC87882
    • NCGC00013918-02
    • propane-1-sulfonic acid
    • 28553-80-2
    • NCGC00013918
    • DTXSID0051231
    • InChI=1/C3H8O3S/c1-2-3-7(4,5)6/h2-3H2,1H3,(H,4,5,6
    • SCHEMBL5268
    • Ammonium propanesulfonate
    • NCI87882
    • 5284-66-2
    • NCI60_041944
    • 1-Propanesulfonic acid, technical, >=99.0% (T)
    • Propanesulfonate
    • NS00005966
    • NSC 87882
    • AKOS016009492
    • Inchi: 1S/C3H8O3S/c1-2-3-7(4,5)6/h2-3H2,1H3,(H,4,5,6)
    • InChI Key: KCXFHTAICRTXLI-UHFFFAOYSA-N
    • SMILES: S(CCC)(=O)(=O)O

Computed Properties

  • Exact Mass: 124.01944
  • Monoisotopic Mass: 124.01941529g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 118
  • 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
  • Topological Polar Surface Area: 62.8?2

Experimental Properties

  • PSA: 54.37
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