Cas no 209852-82-4 (Benzene,1-fluoro-3-[(S)-methylsulfinyl]-)

Benzene,1-fluoro-3-[(S)-methylsulfinyl]- structure
209852-82-4 structure
Product Name:Benzene,1-fluoro-3-[(S)-methylsulfinyl]-
CAS No:209852-82-4
MF:C7H7FOS
MW:158.193284273148
CID:242167
PubChem ID:57375691
Update Time:2025-04-19

Benzene,1-fluoro-3-[(S)-methylsulfinyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-fluoro-3-[(S)-methylsulfinyl]-
    • Benzene, 1-fluoro-3-[(S)-methylsulfinyl]- (9CI)
    • 1-fluoro-3-[(S)-methylsulfinyl]benzene
    • DTXSID50725014
    • SB47738
    • (S)-1-Fluoro-3-(methylsulfinyl)benzene
    • 1-Fluoro-3-[(S)-methanesulfinyl]benzene
    • 209852-82-4
    • Inchi: 1S/C7H7FOS/c1-10(9)7-4-2-3-6(8)5-7/h2-5H,1H3/t10-/m0/s1
    • InChI Key: HRSJVGYVSTUTCX-JTQLQIEISA-N
    • SMILES: [S@](C)(C1C=CC=C(C=1)F)=O

Computed Properties

  • Exact Mass: 158.02021
  • Monoisotopic Mass: 158.02016418g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 138
  • 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: 1.1
  • Topological Polar Surface Area: 36.3?2

Experimental Properties

  • PSA: 17.07
  • LogP: 2.42880
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