Cas no 833-82-9 ((Benzylsulfinyl)benzene)

(Benzylsulfinyl)benzene structure
(Benzylsulfinyl)benzene structure
Product Name:(Benzylsulfinyl)benzene
CAS No:833-82-9
MF:C13H12OS
MW:216.298782348633
MDL:MFCD00019926
CID:861583
PubChem ID:239581
Update Time:2025-04-19

(Benzylsulfinyl)benzene Chemical and Physical Properties

Names and Identifiers

    • (Benzylsulfinyl)benzene
    • benzenesulfinylmethylbenzene
    • benzyl phenyl sulfoxide
    • [(Phenylmethyl)sulfinyl]benzene
    • NSC 122659
    • NSC 44777
    • AKOS022179238
    • SMR001574649
    • NSC-44777
    • NSC122659
    • [(Phenylsulfinyl)methyl]benzene #
    • CHEMBL1863954
    • AE-641/05560045
    • Z1154814721
    • NSC44777
    • SCHEMBL779948
    • 833-82-9
    • MFCD00019926
    • EN300-9544421
    • HMS1666I08
    • MLS002707255
    • ghl.PD_Mitscher_leg0.491
    • NSC-122659
    • [(Phenylsulfinyl)methyl]benzene
    • DTXSID60286328
    • CCG-256456
    • [(BENZENESULFINYL)METHYL]BENZENE
    • MDL: MFCD00019926
    • Inchi: 1S/C13H12OS/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
    • InChI Key: FBPGAWABXWMRAR-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1)(CC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 216.061
  • Monoisotopic Mass: 216.061
  • 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: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 36.3A^2
  • XLogP3: 2.6

Experimental Properties

  • Density: 1.21±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 162-163 oC
  • Boiling Point: 396.5°Cat760mmHg
  • Flash Point: 396.5°Cat760mmHg
  • Refractive Index: 1.653
  • Solubility: Very slightly soluble (0.3 g/l) (25 o C),
  • PSA: 36.28000
  • LogP: 3.86010

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