chempirical

Thieno(3,2-b)thiophene-2-carboxylic acid

C7H4O2S2CAS 1723-27-9184.23 g/mol

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SSOOH
Carboxylic acid

Properties

Molecular formula
C7H4O2S2
Molar mass
184.23 g/mol
Exact mass
183.9653 Da
logP
2.66Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

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
1723-27-9
SMILES
C1=CSC2=C1SC(=C2)C(=O)O
InChIKey
GVZXSZWCZGKLRS-UHFFFAOYSA-N
InChI
InChI=1S/C7H4O2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3H,(H,8,9)

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Names and synonyms

1 names
  • Thieno[3,2-B]thiophene-2-carboxylic acid

Work with Thieno(3,2-b)thiophene-2-carboxylic 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

Dithieno[3,2-b:2′,3′-d]thiophene-2,6-dicarboxylic acid502764-53-656 % similar Benzo[b]thiophene-2-carboxylic acid6314-28-954 % similar 2,5-Thiophenedicarboxylic acid4282-31-950 % similar 6-Bromobenzo[b]thiophene-2-carboxylic acid19075-58-249 % similar 4-Bromo-benzo[B]thiophene-2-carboxylic acid5194-37-649 % similar 5-Fluorobenzo[b]thiophene-2-carboxylic acid70060-13-849 % similar Thiophene-2-carboxylic acid527-72-048 % similar 4,5-Dimethyl-2-thiophenecarboxylic acid40808-24-043 % similar

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

Elsewhere

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