chempirical

3-(2-Thienyl)propanoic acid

C7H8O2SCAS 5928-51-8156.20 g/mol

Open in Covalent MOL file
SOOH
Carboxylic acid

Properties

Molecular formula
C7H8O2S
Molar mass
156.20 g/mol
Exact mass
156.0245 Da
logP
1.77Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

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
5928-51-8
SMILES
C1=CSC(=C1)CCC(=O)O
InChIKey
MJPVYTKZYZPIQA-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)

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Names and synonyms

1 names
  • 3-(2-Thienyl)propionic acid

Work with 3-(2-Thienyl)propanoic 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-Thiophenebutanoic acid4653-11-681 % similar 5-(2-Thienyl)valeric acid21010-06-078 % similar Thiophene-2-acetic acid1918-77-068 % similar γ-Oxo-2-thiophenebutanoic acid4653-08-156 % similar 1,4-Benzenedipropanoic acid4251-21-253 % similar Phenylpropanoic acid501-52-053 % similar 2-Thiopheneethanol5402-55-150 % similar 3-(2-Thiazolyl)propionic acid144163-65-549 % similar

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

Same formula

Furfurylthiol acetate13678-68-7 Methyl (2-thienyl)acetate19432-68-9 5-Ethyl-thiophene-2-carboxylic acid23229-72-3 Ethyl 2-thiophenecarboxylate2810-04-0 Methyl phenyl sulfone3112-85-4 4,5-Dimethyl-2-thiophenecarboxylic acid40808-24-0 3-(Acetylthio)-2-methylfuran55764-25-5 Ethyl 3-thiophenecarboxylate5751-80-4

Elsewhere

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