chempirical

2-Fluoro-6-(4-chlorophenylthio)benzonitrile

C13H7ClFNSCAS 175204-12-3263.71 g/mol

Open in Covalent MOL file
SClNF
Aryl halideNitrileSulfide

Properties

Molecular formula
C13H7ClFNS
Molar mass
263.71 g/mol
Exact mass
262.9972 Da
logP
4.50Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
175204-12-3
SMILES
C1=CC(=C(C(=C1)SC2=CC=C(C=C2)Cl)C#N)F
InChIKey
KFJFXRCXNMCNBN-UHFFFAOYSA-N
InChI
InChI=1S/C13H7ClFNS/c14-9-4-6-10(7-5-9)17-13-3-1-2-12(15)11(13)8-16/h1-7H

Weigh it out

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

Work with 2-Fluoro-6-(4-chlorophenylthio)benzonitrile

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

2,6-Difluorobenzonitrile1897-52-553 % similar 2-[(4-Chlorophenyl)methoxy]-6-fluorobenzonitrile175204-10-150 % similar 2-Chloro-6-fluorobenzonitrile668-45-150 % similar 2-[(4-Chlorophenyl)thio]benzenamine37750-29-148 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-147 % similar 2-Cyano-3-fluorophenol140675-43-045 % similar 2-Amino-6-fluorobenzonitrile77326-36-445 % similar 2-(4-Chlorophenylthio)benzaldehyde107572-07-644 % similar

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

Elsewhere

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