Cas no 36268-70-9 (2-(Methylsulfonamido)phenylacetonitrile)

2-(Methylsulfonamido)phenylacetonitrile structure
36268-70-9 structure
Product Name:2-(Methylsulfonamido)phenylacetonitrile
CAS No:36268-70-9
MF:C9H10N2O2S
MW:210.252900600433
MDL:MFCD18070996
CID:853762
PubChem ID:69118405
Update Time:2025-08-03

2-(Methylsulfonamido)phenylacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(Methylsulfonamido)phenylacetonitrile
    • Methanesulfonamide, N-[2-(cyanomethyl)phenyl]-
    • N-[2-(cyanomethyl)phenyl]Methanesulfonamide
    • SCHEMBL4624216
    • DB-069352
    • YHHDVFAYFWDZCS-UHFFFAOYSA-N
    • (2-methanesulfonylaminophenyl)acetonitrile
    • AKOS027256943
    • N-(2-(cyanomethyl)phenyl)methanesulfonamide
    • CS-0451683
    • DTXSID301261539
    • AC6005
    • 36268-70-9
    • SY011029
    • MFCD18070996
    • SB79542
    • MDL： MFCD18070996
    • Inchi： 1S/C9H10N2O2S/c1-14(12,13)11-9-5-3-2-4-8(9)6-7-10/h2-5,11H,6H2,1H3
    • InChI Key： YHHDVFAYFWDZCS-UHFFFAOYSA-N
    • SMILES： S(C)(NC1C=CC=CC=1CC#N)(=O)=O

Computed Properties

  • Exact Mass: 210.04629874g/mol
  • Monoisotopic Mass: 210.04629874g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 323
  • 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: 0.5
  • Topological Polar Surface Area: 78.3?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 499.1±40.0 °C at 760 mmHg
  • Flash Point: 255.6±27.3 °C
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

2-(Methylsulfonamido)phenylacetonitrile Security Information

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