Cas no 22108-55-0 (Anthra[2,3-b]thiophene)

Anthra[2,3-b]thiophene structure
Anthra[2,3-b]thiophene structure
Product Name:Anthra[2,3-b]thiophene
CAS No:22108-55-0
MF:C16H10S
MW:234.315602779388
CID:271929
PubChem ID:30939
Update Time:2025-04-19

Anthra[2,3-b]thiophene Chemical and Physical Properties

Names and Identifiers

    • Anthra[2,3-b]thiophene
    • naphtho[2,3-f][1]benzothiole
    • SCHEMBL4585002
    • BRN 4416197
    • ANTHRA(2,3-b)THIOPHENE
    • 22108-55-0
    • QOOSFVFWJXNCTP-UHFFFAOYSA-N
    • DTXSID70176620
    • Inchi: 1S/C16H10S/c1-2-4-12-8-15-10-16-13(5-6-17-16)9-14(15)7-11(12)3-1/h1-10H
    • InChI Key: QOOSFVFWJXNCTP-UHFFFAOYSA-N
    • SMILES: S1C=CC2=C1C=C1C=C3C=CC=CC3=CC1=C2

Computed Properties

  • Exact Mass: 234.0504
  • Monoisotopic Mass: 234.050321
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 287
  • 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: 28.2
  • XLogP3: 4.9

Experimental Properties

  • Density: 1.292
  • Boiling Point: 440.7°C at 760 mmHg
  • Flash Point: 166.1°C
  • Refractive Index: 1.809
  • PSA: 0

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