chempirical

Benzo[1,2-B:4,5-B']dithiophene

C10H6S2CAS 267-65-2190.28 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C10H6S2
Molar mass
190.28 g/mol
Exact mass
189.9911 Da
logP
4.12Crippen 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
267-65-2
SMILES
C1=CSC2=CC3=C(C=C21)SC=C3
InChIKey
URMVZUQDPPDABD-UHFFFAOYSA-N
InChI
InChI=1S/C10H6S2/c1-3-11-9-6-8-2-4-12-10(8)5-7(1)9/h1-6H

Weigh it out

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

Work with Benzo[1,2-B:4,5-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

5-Methylbenzo[b]thiophene14315-14-154 % similar 6-Bromobenzo[b]thiophene17347-32-954 % similar Benzo(b)thiophen-5-amine20532-28-954 % similar 5-Chlorobenzo[b]thiophene20532-33-654 % similar 5-Bromobenzo[B]thiophene4923-87-954 % similar Thieno(3,2-b)thiophene251-41-253 % similar Benzothiophene95-15-852 % similar 6-Methoxybenzo(B)thiophene90560-10-448 % similar

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

Elsewhere

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