chempirical

Dithieno[3,2-B:2′,3′-D]thiophene-2,6-dicarboxylic acid

C10H4O4S3CAS 502764-53-6284.32 g/mol

Open in Covalent MOL file
OHOSOOHSS
Carboxylic acid

Properties

Molecular formula
C10H4O4S3
Molar mass
284.32 g/mol
Exact mass
283.9272 Da
Melting point
above 300 °C
logP
3.57Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Identifiers

CAS number
502764-53-6
SMILES
O=C(O)c1cc2sc3cc(C(=O)O)sc3c2s1
InChIKey
XQMFYBSHBCPMBJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H4O4S3/c11-9(12)5-1-3-7(16-5)8-4(15-3)2-6(17-8)10(13)14/h1-2H,(H,11,12)(H,13,14)

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

Work with Dithieno[3,2-B:2′,3′-D]thiophene-2,6-dicarboxylic acid

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-Thiophenedicarboxylic acid4282-31-952 % similar Benzo[B]thiophene-2-carboxylic acid6314-28-952 % similar 7-Chlorobenzo[B]thiophene-2-carboxylic acid90407-16-251 % similar 4,5-Dimethyl-2-thiophenecarboxylic acid40808-24-048 % similar 4,5-Dibromo-2-thiophenecarboxylic acid6324-10-348 % similar 4,5,6,7-Tetrahydrobenzo[B]thiophene-2-carboxylic acid40133-07-147 % similar 6-Bromobenzo[B]thiophene-2-carboxylic acid19075-58-246 % similar 5-Fluorobenzo[B]thiophene-2-carboxylic acid70060-13-846 % similar

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

Elsewhere

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