chempirical

4-(2-Thienyl)-3-buten-2-one

C8H8OSCAS 874-83-9152.21 g/mol

Open in Covalent MOL file
OS
AlkeneKetone

Properties

Molecular formula
C8H8OS
Molar mass
152.21 g/mol
Exact mass
152.0296 Da
Melting point
34–35 °C
Boiling point
112–114 °C (at 3 Torr)
logP
2.35Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
874-83-9
SMILES
CC(=O)C=Cc1cccs1
InChIKey
CIMALVIHZVKKPE-UHFFFAOYSA-N
InChI
InChI=1S/C8H8OS/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3

Weigh it out

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

Names and synonyms

4 names
  • 3-Buten-2-one, 4-(2-thienyl)-
  • 2-Thienylidenacetone
  • 2-(3-Oxo-1-butenyl)thiophene
  • 2-Thenylideneacetone

Work with 4-(2-Thienyl)-3-buten-2-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

3-(2-Thienyl)-2-propenoic acid1124-65-859 % similar (2E)-3-(2-Thienyl)-2-propenoic acid15690-25-259 % similar 1-(4-Methylphenyl)-3-(2-thienyl)-2-propen-1-one6028-89-354 % similar 4-Phenyl-3-buten-2-one122-57-652 % similar trans-4-Phenyl-3-buten-2-one1896-62-452 % similar (4-Hydroxybenzylidene)acetone3160-35-843 % similar 4-(4-Chlorophenyl)-3-buten-2-one3160-40-543 % similar Pyrantel15686-83-642 % similar

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

Same formula

6,7-Dihydrobenzo[B]thiophen-4(5H)-one13414-95-4 4-(Methylthio)benzaldehyde3446-89-7 Cyclopropyl-2-thienylmethanone6193-47-1 Phenyl thioacetate934-87-2

Elsewhere

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