chempirical

1-[(4-Chlorophenyl)thio]-2-propanone

C9H9ClOSCAS 25784-83-2200.68 g/mol

Open in Covalent MOL file
OSCl
Aryl halideKetoneSulfide

Properties

Molecular formula
C9H9ClOS
Molar mass
200.68 g/mol
Exact mass
200.0063 Da
Melting point
31 °C
Boiling point
170–173 °C (at 13 Torr)
logP
3.02Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
25784-83-2
SMILES
CC(=O)CSc1ccc(Cl)cc1
InChIKey
VIUDWXCHYJJHLD-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • 2-Propanone, 1-[(4-chlorophenyl)thio]-
  • 2-Propanone, 1-[(p-chlorophenyl)thio]-
  • 2-Propanone, (p-chlorophenylthio)-
  • p-Chlorophenylthioacetone
  • 1-(4-Chlorophenylthio)-2-propanone
  • (4-Chlorophenylthio)acetone
  • NSC 274960
  • 1-[(4-Chlorophenyl)thio]acetone
  • 1-(4-Chlorophenyl)sulfanylpropan-2-one
  • 1-[(4-Chlorophenyl)sulfanyl]propan-2-one

Work with 1-[(4-Chlorophenyl)thio]-2-propanone

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-[(4-Chlorophenyl)thio]acetic acid3405-88-759 % similar (4-Chlorophenyl)acetone5586-88-955 % similar 1-[(4-Chlorophenyl)sulfonyl]-2-propanone5000-48-647 % similar N-(4-Chlorophenyl)-3-oxobutanamide101-92-846 % similar Chlorbenside103-17-345 % similar P-Chloroacetophenone99-91-241 % similar 1-Chloro-4-(methylthio)benzene123-09-141 % similar 4-Chlorophenyl disulfide1142-19-440 % similar

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

Elsewhere

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