chempirical

2-Propionylthiazole

C6H7NOSCAS 43039-98-1141.19 g/mol

Open in Covalent MOL file
ONS
Ketone

Properties

Molecular formula
C6H7NOS
Molar mass
141.19 g/mol
Exact mass
141.0248 Da
Density
1.205–1.21 g/mL
logP
1.74Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 3
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
43039-98-1
SMILES
CCC(=O)c1nccs1
InChIKey
TYRAENAWSLPSLW-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NOS/c1-2-5(8)6-7-3-4-9-6/h3-4H,2H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • 1-(2-Thiazolyl)-1-propanone
  • 1-Propanone, 1-(2-thiazolyl)-
  • 1-(1,3-Thiazol-2-yl)propan-1-one

Work with 2-Propionylthiazole

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-Acetylthiazole24295-03-253 % similar Methyl thiazole-2-carboxylate55842-56-349 % similar Thiazole-2-carboxylic acid14190-59-148 % similar 1-(2-Thienyl)-1-propanone13679-75-946 % similar 1-(3-Pyridyl)propan-1-one1570-48-539 % similar Propiophenone93-55-038 % similar 2-Ethoxythiazole15679-19-337 % similar 2-Propylthiazole17626-75-437 % similar

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

Same formula

N-2-Thienylacetamide13053-81-1 2-Acetyl-3-aminothiophene31968-33-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook