Cas no 20246-02-0 (Benzene, [(R)-(phenylmethyl)sulfinyl]-)

Benzene, [(R)-(phenylmethyl)sulfinyl]- structure
20246-02-0 structure
Product Name:Benzene, [(R)-(phenylmethyl)sulfinyl]-
CAS No:20246-02-0
MF:C13H12OS
MW:216.298782348633
CID:1392436
PubChem ID:12228219
Update Time:2025-04-20

Benzene, [(R)-(phenylmethyl)sulfinyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzene, [(R)-(phenylmethyl)sulfinyl]-
    • [(R)-phenylsulfinyl]methylbenzene
    • DTXSID90481405
    • 20246-02-0
    • Inchi: 1S/C13H12OS/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2/t15-/m1/s1
    • InChI Key: FBPGAWABXWMRAR-OAHLLOKOSA-N
    • SMILES: [S@](C1C=CC=CC=1)(CC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 216.06096
  • Monoisotopic Mass: 216.06088618g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 203
  • 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: 2.6
  • Topological Polar Surface Area: 36.3?2

Experimental Properties

  • PSA: 17.07
  • LogP: 3.86010
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