Cas no 88220-18-2 (Benzoic acid, 2-(naphtho[1,2-b]thien-2-ylmethyl)-)

Benzoic acid, 2-(naphtho[1,2-b]thien-2-ylmethyl)- structure
88220-18-2 structure
Product Name:Benzoic acid, 2-(naphtho[1,2-b]thien-2-ylmethyl)-
CAS No:88220-18-2
MF:C20H14O2S
MW:318.388964176178
CID:640878
PubChem ID:13128303
Update Time:2025-04-19

Benzoic acid, 2-(naphtho[1,2-b]thien-2-ylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-(naphtho[1,2-b]thien-2-ylmethyl)-
    • 2-(benzo[g][1]benzothiol-2-ylmethyl)benzoic acid
    • DTXSID90520227
    • 2-[(Naphtho[1,2-b]thiophen-2-yl)methyl]benzoic acid
    • 88220-18-2
    • Inchi: 1S/C20H14O2S/c21-20(22)18-8-4-2-6-14(18)11-16-12-15-10-9-13-5-1-3-7-17(13)19(15)23-16/h1-10,12H,11H2,(H,21,22)
    • InChI Key: KADONVUZVCKGOW-UHFFFAOYSA-N
    • SMILES: S1C(=CC2C=CC3C=CC=CC=3C1=2)CC1C=CC=CC=1C(=O)O

Computed Properties

  • Exact Mass: 318.07145086g/mol
  • Monoisotopic Mass: 318.07145086g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 437
  • 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
  • XLogP3: 5.7
  • Topological Polar Surface Area: 65.5?2
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