chempirical

3-Chloro-4-fluorothiobenzamide

C7H5ClFNSCAS 130560-97-3189.63 g/mol

Open in Covalent MOL file
SH2NClF
Aryl halide

Properties

Molecular formula
C7H5ClFNS
Molar mass
189.63 g/mol
Exact mass
188.9815 Da
logP
2.11Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
130560-97-3
SMILES
C1=CC(=C(C=C1C(=S)N)Cl)F
InChIKey
RSGPCKCTKDCMRR-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClFNS/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)

Weigh it out

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

Work with 3-Chloro-4-fluorothiobenzamide

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-(3-Chloro-4-fluorophenyl)ethanone2923-66-251 % similar 3-Chloro-4-fluorobenzoic acid403-16-751 % similar 4-Fluorothiobenzamide22179-72-248 % similar 3-Chloro-4-fluoroaniline367-21-547 % similar 2,4-Dichlorofluorobenzene1435-48-945 % similar 3-Chloro-4-fluorobenzotrifluoride78068-85-644 % similar 2-Chloro-1-fluoro-4-methylbenzene1513-25-344 % similar 3-Hydroxy-thiobenzamide104317-54-643 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook