Cas no 51925-22-5 (Naphtho[1,2-b]thiophene-2-carboxaldehyde)

Naphtho[1,2-b]thiophene-2-carboxaldehyde structure
51925-22-5 structure
Product Name:Naphtho[1,2-b]thiophene-2-carboxaldehyde
CAS No:51925-22-5
MF:C13H8OS
MW:212.267022132874
CID:361053
PubChem ID:13128312
Update Time:2025-04-19

Naphtho[1,2-b]thiophene-2-carboxaldehyde Chemical and Physical Properties

Names and Identifiers

    • Naphtho[1,2-b]thiophene-2-carboxaldehyde
    • benzo[g][1]benzothiole-2-carbaldehyde
    • NAPHTHO[1,2-B]THIOPHENE-2-CARBALDEHYDE
    • SCHEMBL9526357
    • 51925-22-5
    • DTXSID60520234
    • Inchi: 1S/C13H8OS/c14-8-11-7-10-6-5-9-3-1-2-4-12(9)13(10)15-11/h1-8H
    • InChI Key: DJHWPYHBSSJQCS-UHFFFAOYSA-N
    • SMILES: S1C(C=O)=CC2=CC=C3C=CC=CC3=C12

Computed Properties

  • Exact Mass: 212.02964
  • Monoisotopic Mass: 212.02958605g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 253
  • 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: 4
  • Topological Polar Surface Area: 45.3?2

Experimental Properties

  • PSA: 17.07
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