chempirical

Dibenzothiophene

C12H8SCAS 132-65-0184.26 g/mol

Open in Covalent MOL file
S

Properties

Molecular formula
C12H8S
Molar mass
184.26 g/mol
Exact mass
184.0347 Da
Melting point
97 °C
Boiling point
332.5 °C
logP
4.05Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
132-65-0
SMILES
c1ccc2c(c1)sc1ccccc12
InChIKey
IYYZUPMFVPLQIF-UHFFFAOYSA-N
InChI
InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 2,2′-Biphenylylene sulfide
  • Diphenylene sulfide
  • 9-Thiafluorene
  • [1,1′-Biphenyl]-2,2′-diyl sulfide
  • Dibenzo[b,d]thiophene
  • DBT
  • NSC 2843

Work with Dibenzothiophene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thioxanthone492-22-865 % similar 3-Dibenzothiophenamine25288-76-058 % similar 4-Bromodibenzothiophene97511-05-257 % similar Benzo[B]naphtho[1,2-D]thiophene205-43-654 % similar 4-Iododibenzothiophene132034-89-052 % similar Solvent orange 6316294-75-048 % similar Triphenylene217-59-447 % similar 4-Dibenzothiopheneboronic acid108847-20-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia