Cas no 26439-19-0 (2,3-Butanediol,2,3-dimethanesulfonate)

2,3-Butanediol,2,3-dimethanesulfonate structure
26439-19-0 structure
Product Name:2,3-Butanediol,2,3-dimethanesulfonate
CAS No:26439-19-0
MF:C6H14O6S2
MW:246.301760196686
CID:287493
PubChem ID:99909
Update Time:2025-04-19

2,3-Butanediol,2,3-dimethanesulfonate Chemical and Physical Properties

Names and Identifiers

    • 2,3-Butanediol,2,3-dimethanesulfonate
    • 1,2-dimethyl-1,2-ethanedithiol
    • 1,2-Dimethylethylene dimethanesulfonate
    • 2,3-Bis-methansulfonyloxy-butan
    • 2,3-Butanedithiol
    • 2,3-butylene dithioglycol
    • 2,3-C4H8(SH)2
    • 2,3-Dimercaptobutane
    • 2.3-Dimercapto-butan
    • AC1LC5PD
    • ACMC-1CSZH
    • Butan-2,3-dithiol
    • butane-2,3-diyl dimethanesulfonate
    • DSSTox_CID_27089
    • EINECS 224-870-8
    • FEMA No. 3477
    • meso-2,3-bis(methanesulfonyloxy)butane
    • 2,3-Butanediol, dimethanesulfonate
    • SCHEMBL1822384
    • 26439-19-0
    • NSC-260661
    • DTXSID00949324
    • dimethanesulphonyloxybutane
    • butane-2,3-diol dimethanesulfonate
    • NSC 260661
    • (2R,3R)-Butanediol bis(methanesulfonate)
    • WRAXODRAAIYKAW-UHFFFAOYSA-N
    • NSC260661
    • Inchi: 1S/C6H14O6S2/c1-5(11-13(3,7)8)6(2)12-14(4,9)10/h5-6H,1-4H3
    • InChI Key: WRAXODRAAIYKAW-UHFFFAOYSA-N
    • SMILES: S(C)(=O)(=O)OC(C)C(C)OS(C)(=O)=O

Computed Properties

  • Exact Mass: 246.02322
  • Monoisotopic Mass: 246.02318051g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 318
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • PSA: 86.74
  • LogP: 1.87740
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