Cas no 51927-46-9 (Benzene, 1-(bromomethyl)-4-(methylsulfinyl)-)

Benzene, 1-(bromomethyl)-4-(methylsulfinyl)- structure
51927-46-9 structure
Product Name:Benzene, 1-(bromomethyl)-4-(methylsulfinyl)-
CAS No:51927-46-9
MF:C8H9BrOS
MW:233.125460386276
CID:361043
PubChem ID:11977186
Update Time:2025-04-19

Benzene, 1-(bromomethyl)-4-(methylsulfinyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-(bromomethyl)-4-(methylsulfinyl)-
    • 1-(bromomethyl)-4-(methylsulfinyl)Benzene
    • 1-(bromomethyl)-4-methylsulfinylbenzene
    • FT-0745134
    • DTXSID40475071
    • 1-(BROMOMETHYL)-4-METHANESULFINYLBENZENE
    • 51927-46-9
    • TWRRPMMTNQLFRF-UHFFFAOYSA-N
    • SCHEMBL1940530
    • 1-Bromomethyl-4-methylsulfinylbenzene
    • 1-bromomethyl-4-methanesulfinyl-benzene
    • Inchi: 1S/C8H9BrOS/c1-11(10)8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
    • InChI Key: TWRRPMMTNQLFRF-UHFFFAOYSA-N
    • SMILES: BrCC1C=CC(=CC=1)S(C)=O

Computed Properties

  • Exact Mass: 231.95577
  • Monoisotopic Mass: 231.95575g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 141
  • 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
  • XLogP3: 1.6
  • Topological Polar Surface Area: 36.3?2

Experimental Properties

  • PSA: 17.07
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