Cas no 1204763-25-6 ((3,4,5-trimethylthiophen-2-yl)boronic acid)

(3,4,5-trimethylthiophen-2-yl)boronic acid structure
1204763-25-6 structure
Product Name:(3,4,5-trimethylthiophen-2-yl)boronic acid
CAS No:1204763-25-6
MF:C7H11BO2S
MW:170.037040948868
CID:2617170
PubChem ID:57416369
Update Time:2025-04-21

(3,4,5-trimethylthiophen-2-yl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (3,4,5-trimethylthiophen-2-yl)boronic acid
    • 1204763-25-6
    • AT33036
    • DTXSID90726045
    • Inchi: 1S/C7H11BO2S/c1-4-5(2)7(8(9)10)11-6(4)3/h9-10H,1-3H3
    • InChI Key: ZQDRMSUWEZWSRS-UHFFFAOYSA-N
    • SMILES: S1C(B(O)O)=C(C)C(C)=C1C

Computed Properties

  • Exact Mass: 170.0572809Da
  • Monoisotopic Mass: 170.0572809Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 142
  • 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: 68.7?2
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