3-Acetyl-2-methyl-5-phenylthiophene

C₁₃H₁₂OSCAS 40932-63-6216.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₂OS
Molar mass: 216.30 g/mol
Exact mass: 216.0609 Da
logP: 3.93Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 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

40932-63-6

SMILES

CC1=C(C=C(S1)C2=CC=CC=C2)C(=O)C

InChIKey

GREAZYFTAJMZFD-UHFFFAOYSA-N

InChI

InChI=1S/C13H12OS/c1-9(14)12-8-13(15-10(12)2)11-6-4-3-5-7-11/h3-8H,1-2H3

Weigh it out

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Work with 3-Acetyl-2-methyl-5-phenylthiophene

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

3-Acetyl-2,5-dimethylthiophene2530-10-156 % similar 2-Acetyl-3-amino-5-phenylthiophene105707-24-254 % similar 1,2-Diacetylbenzene704-00-745 % similar 2′-Methylacetophenone577-16-243 % similar 4-Acetylbiphenyl92-91-143 % similar 2′-Chloroacetophenone2142-68-942 % similar 2'-Aminoacetophenone551-93-942 % similar 2-Acetylbenzoic acid577-56-041 % similar

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

Same formula

4-(Phenylthio)benzenemethanol6317-56-2

Elsewhere

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