chempirical

(4-Fluorophenylthio)propan-2-one

C9H9FOSCAS 2968-13-0184.23 g/mol

Open in Covalent MOL file
OSF
Aryl halideKetoneSulfide

Properties

Molecular formula
C9H9FOS
Molar mass
184.23 g/mol
Exact mass
184.0358 Da
logP
2.51Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

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
2968-13-0
SMILES
CC(=O)CSC1=CC=C(C=C1)F
InChIKey
MKJQBSVPZYELIJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9FOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3

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Names and synonyms

1 names
  • (4-Fluorophenylthio)acetone

Work with (4-Fluorophenylthio)propan-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

1-[(4-Chlorophenyl)thio]-2-propanone25784-83-264 % similar 2-[(4-Fluorophenyl)thio]acetic acid332-51-459 % similar (4-Fluorophenyl)acetone459-03-055 % similar (4-Fluorophenylthio)acetonitrile18527-21-446 % similar 3-Fluorophenylacetone1737-19-542 % similar 4′-Fluoroacetophenone403-42-941 % similar 4-Fluorophenyl methyl sulfide371-15-341 % similar 1-[(Phenylmethyl)thio]-2-propanone10230-69-039 % similar

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

Elsewhere

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