chempirical

4,9-Dihydro-S-indaceno[1,2-B:5,6-B']dithiophene

C16H10S2CAS 1209012-31-6266.38 g/mol

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Properties

Molecular formula
C16H10S2
Molar mass
266.38 g/mol
Exact mass
266.0224 Da
logP
4.95Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

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

Identifiers

CAS number
1209012-31-6
SMILES
C1C2=C(C3=CC4=C(C=C31)C5=C(C4)C=CS5)SC=C2
InChIKey
ZGQQWSXQDWUNDY-UHFFFAOYSA-N
InChI
InChI=1S/C16H10S2/c1-3-17-15-9(1)5-11-7-14-12(8-13(11)15)6-10-2-4-18-16(10)14/h1-4,7-8H,5-6H2

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Work with 4,9-Dihydro-S-indaceno[1,2-B:5,6-B']dithiophene

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

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

Elsewhere

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