chempirical

Thiophene-2-carboxylic acid

C5H4O2SCAS 527-72-0128.14 g/mol

Open in Covalent MOL file
OHOS
Carboxylic acid

Properties

Molecular formula
C5H4O2S
Molar mass
128.14 g/mol
Exact mass
127.9932 Da
Melting point
129.5 °C
logP
1.45Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
527-72-0
SMILES
O=C(O)c1cccs1
InChIKey
QERYCTSHXKAMIS-UHFFFAOYSA-N
InChI
InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)

Weigh it out

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

Names and synonyms

8 names
  • 2-Thiophenecarboxylic acid
  • α-Thiophenecarboxylic acid
  • 2-Thenoic acid
  • 2-Thiophenic acid
  • 2-Carboxythiophene
  • 2-Thienylcarboxylic acid
  • NSC 2188
  • Thienoic acid

Work with 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

2-Thiopheneglyoxylic acid4075-59-657 % similar 2,5-Thiophenedicarboxylic acid4282-31-954 % similar 2-Thiophenecarbonyl chloride5271-67-052 % similar 2-Thiophenecarboxamide5813-89-852 % similar Thiophene-2-carbohydrazide2361-27-552 % similar γ-Oxo-2-thiophenebutanoic acid4653-08-150 % similar 2-Benzoylthiophene135-00-248 % similar 3-(Thien-2-yl)benzoic acid29886-63-347 % similar

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

Same formula

3-Thiophenecarboxylic acid88-13-1

Elsewhere

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