Benzo[B]naphtho[1,2-D]thiophene

C₁₆H₁₀SCAS 205-43-6234.32 g/mol

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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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

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

4 names

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 Phenanthrene85-01-846 % similar Thioxanthone492-22-845 % similar Solvent orange 6316294-75-044 % similar 7H-Dibenzo[C,G]carbazole194-59-243 % similar Chrysene218-01-942 % similar 2-Methylnaphtho[1,2-D]thiazole2682-45-342 % similar Naphtho[1,2-D]thiazol-2-amine40172-65-442 % similar

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

Elsewhere

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