Cas no 2241866-99-7 ((2-((methyl-d3)thio)phenyl)boronic acid)

(2-((methyl-d3)thio)phenyl)boronic acid structure
2241866-99-7 structure
Product Name:(2-((methyl-d3)thio)phenyl)boronic acid
CAS No:2241866-99-7
MF:C7H9BO2S
MW:171.039645910263
CID:6815811
PubChem ID:45788888
Update Time:2025-03-03

(2-((methyl-d3)thio)phenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (2-((methyl-d3)thio)phenyl)boronic acid
    • CS-19085
    • 2241866-99-7
    • AKOS015943979
    • 2-(Methylthiol-d3)-phenylboronic acid
    • F92680
    • Inchi: 1S/C7H9BO2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3/i1D3
    • InChI Key: QXBWTYBCNFKURT-FIBGUPNXSA-N
    • SMILES: S(C([2H])([2H])[2H])C1C=CC=CC=1B(O)O

Computed Properties

  • Exact Mass: 171.0604611Da
  • Monoisotopic Mass: 171.0604611Da
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 121
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 65.8?2
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