5-Formyl-2-thiophenecarboxylic acid

C₆H₄O₃SCAS 4565-31-5156.15 g/mol

Open in Covalent MOL file

Aldehyde Carboxylic acid

Properties

Molecular formula: C₆H₄O₃S
Molar mass: 156.15 g/mol
Exact mass: 155.9881 Da
logP: 1.26Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

4565-31-5

SMILES

C1=C(SC(=C1)C(=O)O)C=O

InChIKey

VFEAMMGYJFFXKV-UHFFFAOYSA-N

InChI

InChI=1S/C6H4O3S/c7-3-4-1-2-5(10-4)6(8)9/h1-3H,(H,8,9)

Weigh it out

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

Work with 5-Formyl-2-thiophenecarboxylic 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 acid4282-31-963 % similar 5-(Methylsulfanyl)thiophene-2-carboxylic acid20873-58-956 % similar Methyl 5-formylthiophene-2-carboxylate67808-64-453 % similar 2,5-Thiophenedicarboxaldehyde932-95-652 % similar 5-Methyl-2-thiophenecarboxylic acid1918-79-252 % similar 5-Chloro-2-thiophenecarboxylic acid24065-33-652 % similar 5-Fluorothiophene-2-carboxylic acid4377-58-652 % similar 5-Bromo-2-thiophenecarboxylic acid7311-63-952 % similar

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

Same formula

2-Thiopheneglyoxylic acid4075-59-6

Elsewhere

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