Cas no 4567-43-5 (2-methylbenzo[b]naphtho[2,1-d]thiophene)

2-methylbenzo[b]naphtho[2,1-d]thiophene structure
4567-43-5 structure
Product Name:2-methylbenzo[b]naphtho[2,1-d]thiophene
CAS No:4567-43-5
MF:C17H12S
MW:248.342183113098
CID:1517129
PubChem ID:165248
Update Time:2025-04-21

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

Names and Identifiers

    • 2-methylbenzo[b]naphtho[2,1-d]thiophene
    • 2-Methylbenzo(b)naphtho(2,1-d)thiophene
    • Benzo(b)naphtho(2,1-d)thiophene, 2-methyl-
    • 2-methylnaphtho[1,2-b][1]benzothiole
    • 4567-43-5
    • Benzo[b]naphtho[2,1]thiophene, 2-methyl
    • DTXSID90196582
    • 2-methylbenzo[b]naphtho[2,1-d]thiopene
    • OROXKUAWRWGWNX-UHFFFAOYSA-N
    • Inchi: 1S/C17H12S/c1-11-6-7-12-8-9-14-13-4-2-3-5-16(13)18-17(14)15(12)10-11/h2-10H,1H3
    • InChI Key: OROXKUAWRWGWNX-UHFFFAOYSA-N
    • SMILES: S1C2C=CC=CC=2C2C=CC3C=CC(C)=CC=3C1=2

Computed Properties

  • Exact Mass: 248.06606
  • Monoisotopic Mass: 248.066
  • 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
  • Boiling Point: 446.5°C at 760 mmHg
  • Flash Point: 168.8°C
  • Refractive Index: 1.781
  • PSA: 0
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