chempirical

2-Thiopheneglyoxylic acid

C6H4O3SCAS 4075-59-6156.15 g/mol

Open in Covalent MOL file
OHOOS
Carboxylic acidKetone

Properties

Molecular formula
C6H4O3S
Molar mass
156.15 g/mol
Exact mass
155.9881 Da
Melting point
91.5 °C
logP
1.02Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
4075-59-6
SMILES
O=C(O)C(=O)c1cccs1
InChIKey
GIWRVUADKUVEGU-UHFFFAOYSA-N
InChI
InChI=1S/C6H4O3S/c7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H,8,9)

Weigh it out

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

Names and synonyms

10 names
  • 2-Thiopheneacetic acid, α-oxo-
  • α-Oxo-2-thiopheneacetic acid
  • 2-Thienylglyoxylic acid
  • 2-Thienylglyoxalic acid
  • (2-Thienyl)oxoacetic acid
  • α-Thienylglyoxalic acid
  • 2-(2-Thienyl)-2-oxoacetic acid
  • Oxo(thien-2-yl)acetic acid
  • 2-Oxo-2-(thiophen-2-yl)acetic acid
  • 2-Oxo-2-(2-thienyl)acetic acid

Work with 2-Thiopheneglyoxylic 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

Thiophene-2-carboxylic acid527-72-057 % similar Ethyl 2-thienylglyoxylate4075-58-549 % similar 2-Thiophenecarbonyl chloride5271-67-047 % similar 2-Thiophenecarboxamide5813-89-847 % similar γ-Oxo-2-thiophenebutanoic acid4653-08-146 % similar 2-Benzoylthiophene135-00-244 % similar 2-Bromo-1-(thiophen-2-yl)ethan-1-one10531-41-643 % similar 1-(2-Thienyl)-1-propanone13679-75-943 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook