Cas no 84258-64-0 (Benzo[b]naphtho[1,2-d]thiophene, 2-methyl-)

Benzo[b]naphtho[1,2-d]thiophene, 2-methyl- structure
84258-64-0 structure
Product Name:Benzo[b]naphtho[1,2-d]thiophene, 2-methyl-
CAS No:84258-64-0
MF:C17H12S
MW:248.342183113098
CID:733299
PubChem ID:158424
Update Time:2025-04-19

Benzo[b]naphtho[1,2-d]thiophene, 2-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzo[b]naphtho[1,2-d]thiophene, 2-methyl-
    • 2-methylnaphtho[2,1-b][1]benzothiole
    • Benzo[b]naphtho[1,2]thiophene, 2-methyl
    • 84258-64-0
    • DTXSID10233206
    • Benzo[b]naphtho[1,2-d]thiophene, 2-methyl
    • MSIKXYRODWFYRL-UHFFFAOYSA-N
    • Benzo(b)naphtho(1,2-d)thiophene, 2-methyl-
    • Inchi: 1S/C17H12S/c1-11-6-7-12-8-9-16-17(14(12)10-11)13-4-2-3-5-15(13)18-16/h2-10H,1H3
    • InChI Key: MSIKXYRODWFYRL-UHFFFAOYSA-N
    • SMILES: S1C2C=CC=CC=2C2=C1C=CC1C=CC(C)=CC2=1

Computed Properties

  • Exact Mass: 248.06597156g/mol
  • Monoisotopic Mass: 248.06597156g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 313
  • 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: 5.9
  • Topological Polar Surface Area: 28.2?2

Experimental Properties

  • Density: 1.257±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (1.4E-5 g/L) (25 oC),
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