Cas no 919354-60-2 ((2,5-dimethylphenyl)methanesulfonamide)

(2,5-dimethylphenyl)methanesulfonamide structure
919354-60-2 structure
Product Name:(2,5-dimethylphenyl)methanesulfonamide
CAS No:919354-60-2
MF:C9H13NO2S
MW:199.27002120018
CID:763767
PubChem ID:21323948
Update Time:2025-04-19

(2,5-dimethylphenyl)methanesulfonamide Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanesulfonamide, 2,5-dimethyl-
    • (2,5-dimethylphenyl)methanesulfonamide
    • AKOS010743051
    • 919354-60-2
    • DTXSID20612427
    • EN300-178377
    • SCHEMBL4875195
    • 1-(2,5-dimethylphenyl)methanesulfonamide
    • Inchi: 1S/C9H13NO2S/c1-7-3-4-8(2)9(5-7)6-13(10,11)12/h3-5H,6H2,1-2H3,(H2,10,11,12)
    • InChI Key: CCCUCYFIXUXQDL-UHFFFAOYSA-N
    • SMILES: S(CC1C=C(C)C=CC=1C)(N)(=O)=O

Computed Properties

  • Exact Mass: 199.06669983g/mol
  • Monoisotopic Mass: 199.06669983g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 255
  • 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: 1.2
  • Topological Polar Surface Area: 68.5?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 367.7±52.0 °C at 760 mmHg
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

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