1-(4-Methylphenyl)-3-(2-thienyl)-2-propen-1-one

C₁₄H₁₂OSCAS 6028-89-3228.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₂OS
Molar mass: 228.31 g/mol
Exact mass: 228.0609 Da
Melting point: 79 °C
logP: 3.95Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

6028-89-3

SMILES

Cc1ccc(C(=O)C=Cc2cccs2)cc1

InChIKey

OUDDTWPBSXBJOY-UHFFFAOYSA-N

InChI

InChI=1S/C14H12OS/c1-11-4-6-12(7-5-11)14(15)9-8-13-3-2-10-16-13/h2-10H,1H3

Weigh it out

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

Names and synonyms

3 names

2-Propen-1-one, 1-(4-methylphenyl)-3-(2-thienyl)-
Acrylophenone, 4′-methyl-3-(2-thienyl)-
1-(4-Methylphenyl)-3-(thien-2-yl)-2-propen-1-one

Work with 1-(4-Methylphenyl)-3-(2-thienyl)-2-propen-1-one

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

4-(2-Thienyl)-3-buten-2-one874-83-954 % similar 3-(2-Thienyl)-2-propenoic acid1124-65-850 % similar (2E)-3-(2-Thienyl)-2-propenoic acid15690-25-250 % similar trans-Chalcone614-47-141 % similar Chalcone94-41-741 % similar 4-Methylbenzamide619-55-639 % similar 4′-Methoxychalcone959-23-939 % similar 4,4′-Dimethoxychalcone2373-89-939 % similar

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

Same formula

1-[4-(Phenylthio)phenyl]ethanone10169-55-8 4′-(Methylthio)[1,1′-biphenyl]-4-carboxaldehyde221018-02-6

Elsewhere

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