2,6-Dibromodithieno[3,2-B:2',3'-D]thiophene

C8H2Br2S3CAS 67061-69-2354.09 g/mol

Open in Covalent MOL file
SSSBrBr
Aryl halide

Properties

Molecular formula
C8H2Br2S3
Molar mass
354.09 g/mol
Exact mass
351.7685 Da
logP
5.70Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
67061-69-2
SMILES
C1=C(SC2=C1SC3=C2SC(=C3)Br)Br
InChIKey
UTKPZZGBROTDKR-UHFFFAOYSA-N
InChI
InChI=1S/C8H2Br2S3/c9-5-1-3-7(12-5)8-4(11-3)2-6(10)13-8/h1-2H

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Work with 2,6-Dibromodithieno[3,2-B:2',3'-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

2,5-Dibromothieno(3,2-b)thiophene25121-87-363 % similar 3,3',5,5'-Tetrabromo-2,2'-bithiophene125143-53-542 % similar 2-Bromobenzo(b)thiophene5394-13-841 % similar 2,3,5-Tribromothiophene3141-24-040 % similar 2,5-Dibromothiophene3141-27-338 % similar 6-Bromo-4-chlorothieno(3,2-d)pyrimidine225385-03-538 % similar 2,5-Dibromo-3-methylthiophene13191-36-137 % similar 2,8-Dibromodibenzothiophene31574-87-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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