chempirical

3-(3-Thienyl)acrylic acid

C7H6O2SCAS 1195-52-4154.18 g/mol

Open in Covalent MOL file
OHOS
AlkeneCarboxylic acid

Properties

Molecular formula
C7H6O2S
Molar mass
154.18 g/mol
Exact mass
154.0089 Da
Melting point
149–150 °C
logP
1.85Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
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
1195-52-4
SMILES
O=C(O)C=Cc1ccsc1
InChIKey
VYRYYUKILKRGDN-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O2S/c8-7(9)2-1-6-3-4-10-5-6/h1-5H,(H,8,9)

Weigh it out

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

Names and synonyms

7 names
  • 2-Propenoic acid, 3-(3-thienyl)-
  • 3-Thiopheneacrylic acid
  • 3-(3-Thienyl)-2-propenoic acid
  • 3-(Thiophene-3-yl)propenoic acid
  • 3-(Thiophene-3-yl)acrylic acid
  • 3-(3-Thienyl)propenoic acid
  • 3-(Thien-3-yl)acrylic acid

Work with 3-(3-Thienyl)acrylic 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

p-Phenylenediacrylic acid16323-43-662 % similar Cinnamic acid140-10-356 % similar Cinnamic acid621-82-956 % similar 3-(4-Formylphenyl)-2-propenoic acid23359-08-253 % similar P-Coumaric acid501-98-453 % similar 3-(4-Pyridinyl)-2-propenoic acid5337-79-153 % similar p-Coumaric acid7400-08-053 % similar 3-(4-Pyridine)acrylic acid84228-93-353 % similar

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

Same formula

4-Mercaptobenzoic acid1074-36-8 3-(2-Thienyl)-2-propenoic acid1124-65-8 Thiosalicylic acid147-93-3 3-(2-Thienyl)acrylic acid15690-25-2 3-Mercaptobenzoic acid4869-59-4

Elsewhere

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