Cas no 20414-85-1 (Sulfoximine,S-methyl-S-(4-methylphenyl)-, [S(R)]-)

Sulfoximine,S-methyl-S-(4-methylphenyl)-, [S(R)]- structure
20414-85-1 structure
Product Name:Sulfoximine,S-methyl-S-(4-methylphenyl)-, [S(R)]-
CAS No:20414-85-1
MF:C8H11NOS
MW:169.244040727615
CID:241141
PubChem ID:25036640
Update Time:2025-04-19

Sulfoximine,S-methyl-S-(4-methylphenyl)-, [S(R)]- Chemical and Physical Properties

Names and Identifiers

    • Sulfoximine,S-methyl-S-(4-methylphenyl)-, [S(R)]-
    • methyl-methylimino-oxo-phenyl-λ<sup>6</sup>-sulfane
    • (N,S-dimethylsulfonimidoyl)benzene
    • (R)-()-N,S-Dimethyl-S-phenylsulfoximine
    • (R)-(-)-N,S-Dimethyl-S-phenylsulphoximine
    • R-(-)-N,S-Dimethyl-S-phenylsulfoximine
    • (Dimethylsulfonimidoyl)benzene #
    • DTXSID00648527
    • OQWUXWSLVBGOIX-LLVKDONJSA-N
    • 20414-85-1
    • AKOS030240860
    • methyl-methylimino-oxo-phenyl-lambda6-sulfane
    • SCHEMBL2178308
    • (N,S-Dimethanesulfonimidoyl)benzene
    • (R)-(-)-N,S-DIMETHYL-S-PHENYLSULFOXIMINE , 98%
    • Inchi: 1S/C8H11NOS/c1-9-11(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3/t11-/m1/s1
    • InChI Key: OQWUXWSLVBGOIX-LLVKDONJSA-N
    • SMILES: [S@@](C)(C1C=CC=CC=1)(=NC)=O

Computed Properties

  • Exact Mass: 169.05623
  • Monoisotopic Mass: 169.05613515g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 222
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 37.8?2

Experimental Properties

  • Density: 1.16?g/mL?at 25?°C(lit.)
  • Boiling Point: 110?°C0.4?mm Hg(lit.)
  • Flash Point: >230?°F
  • Refractive Index: n20/D 1.565(lit.)
  • PSA: 29.43

Sulfoximine,S-methyl-S-(4-methylphenyl)-, [S(R)]- Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/38
  • Safety Term:S26;S36

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