chempirical

3,4-Thiophenedicarboxylic acid

C6H4O4SCAS 4282-29-5172.15 g/mol

Open in Covalent MOL file
OHOSOHO
Carboxylic acid

Properties

Molecular formula
C6H4O4S
Molar mass
172.15 g/mol
Exact mass
171.9830 Da
Melting point
230–231 °C
logP
1.14Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
4282-29-5
SMILES
O=C(O)c1cscc1C(=O)O
InChIKey
ZWWLLYJRPKYTDF-UHFFFAOYSA-N
InChI
InChI=1S/C6H4O4S/c7-5(8)3-1-11-2-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)

Weigh it out

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

Names and synonyms

2 names
  • NSC 672208
  • NSC 81793

Work with 3,4-Thiophenedicarboxylic 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

4-Bromo-3-thiophenecarboxylic acid16694-17-068 % similar 1,4,5,8-Naphthalenetetracarboxylic acid128-97-252 % similar Phthalic acid88-99-352 % similar 2,3-Dihydroxy-1,4-benzenedicarboxylic acid19829-72-248 % similar 2,5-Dihydroxyterephthalic acid610-92-448 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-346 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-146 % similar 2,5-Dimercapto-1,4-benzenedicarboxylic acid25906-66-546 % similar

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

Same formula

2,5-Thiophenedicarboxylic acid4282-31-9

Elsewhere

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