Cas no 37750-86-0 (Benzo[1,2-b:4,5-b']bis[1]benzothiophene,6,12-dimethyl- (6CI,7CI,9CI))

Benzo[1,2-b:4,5-b']bis[1]benzothiophene,6,12-dimethyl- (6CI,7CI,9CI) structure
37750-86-0 structure
Product Name:Benzo[1,2-b:4,5-b']bis[1]benzothiophene,6,12-dimethyl- (6CI,7CI,9CI)
CAS No:37750-86-0
MF:C20H14S2
MW:318.455162525177
CID:318349
PubChem ID:216840
Update Time:2025-04-19

Benzo[1,2-b:4,5-b']bis[1]benzothiophene,6,12-dimethyl- (6CI,7CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzo[1,2-b:4,5-b']bis[1]benzothiophene,6,12-dimethyl- (6CI,7CI,9CI)
    • 6,12-dimethyl-dibenzo[d,d']benzo[1,2-b,4,5-b']dithiophene
    • DTXSID00191200
    • 37750-86-0
    • Benzo(1,2-b:4,5-b')bis(1)benzothiophene, 6,12-dimethyl-
    • 2,12-dimethyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene
    • BRN 0032953
    • 6,12-dimethylbenzo[1,2-b:4,5-b']dithionaphthene
    • 4-19-00-00437 (Beilstein Handbook Reference)
    • 6,12-Dimethylbenzo(1,2-b:4,5-b')dithionaphthene
    • 6,12-dimethyldibenzo[d,d']benzo[1,2-b:4,5-b']bisthiophene
    • CHEBI:142414
    • Inchi： 1S/C20H14S2/c1-11-17-13-7-3-5-9-15(13)22-20(17)12(2)18-14-8-4-6-10-16(14)21-19(11)18/h3-10H,1-2H3
    • InChI Key： SMSBYNWSDGBVOO-UHFFFAOYSA-N
    • SMILES： S1C2C=CC=CC=2C2C(C)=C3C(C4C=CC=CC=4S3)=C(C)C1=2

Computed Properties

  • Exact Mass: 318.05382
  • Monoisotopic Mass: 318.054
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 0
  • Complexity: 395
  • 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: 7.4
  • Topological Polar Surface Area: 56.5?2

Experimental Properties

  • Density: 1.341
  • Boiling Point: 542.7°C at 760 mmHg
  • Flash Point: 214.3°C
  • Refractive Index: 1.827
  • PSA: 0

Benzo[1,2-b:4,5-b']bis[1]benzothiophene,6,12-dimethyl- (6CI,7CI,9CI) Related Literature

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