Benzo(b)naphtho(1,2-d)thiophene

C16H10SCAS 205-43-6234.32 g/mol

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S

Properties

Molecular formula
C16H10S
Molar mass
234.32 g/mol
Exact mass
234.0503 Da
Melting point
102–102.5 °C
Boiling point
280 °C (at 15 Torr)
logP
5.21Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
205-43-6
SMILES
c1ccc2c(c1)ccc1sc3ccccc3c12
InChIKey
XZUMOEVHCZXMTR-UHFFFAOYSA-N
InChI
InChI=1S/C16H10S/c1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15/h1-10H

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Names and synonyms

5 names
  • Benzo[B]naphtho[1,2-D]thiophene
  • 3,4-Benzo-9-thiafluorene
  • 7-Thia-7H-benzo[c]fluorene
  • Naphtho[2,1-b]thianaphthene
  • 3,4-Benzodibenzothiophene

Work with Benzo(b)naphtho(1,2-d)thiophene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dibenzothiophene132-65-054 % similar 1-Bromodibenzothiophene65642-94-653 % similar Phenanthrene85-01-846 % similar Thioxanthone492-22-845 % similar Solvent orange 6316294-75-044 % similar 7H-Dibenzo[c,g]carbazole194-59-243 % similar Dibenzothiophene-2-boronic acid668983-97-943 % similar 2-Iododibenzothiophene177586-41-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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