chempirical

5-Formyl-2-thiophenecarboxylic acid

C6H4O3SCAS 4565-31-5156.15 g/mol

Open in Covalent MOL file
SOOHO
AldehydeCarboxylic 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

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
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

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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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