chempirical

4-Fluorothiobenzamide

C7H6FNSCAS 22179-72-2155.19 g/mol

Open in Covalent MOL file
H2NSF
Aryl halide

Properties

Molecular formula
C7H6FNS
Molar mass
155.19 g/mol
Exact mass
155.0205 Da
Melting point
148 °C
logP
1.46Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
22179-72-2
SMILES
NC(=S)c1ccc(F)cc1
InChIKey
VQFOHZWOKJQOGO-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)

Weigh it out

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

Names and synonyms

5 names
  • Benzenecarbothioamide, 4-fluoro-
  • Benzamide, p-fluorothio-
  • 4-Fluorobenzenecarbothioamide
  • 4-Fluoro-1-benzenecarbothioamide
  • 4-Fluorobenzothioamide

Work with 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

4-Aminobenzenecarbothioamide4714-67-458 % similar 4-(Trifluoromethyl)benzenecarbothioamide72505-21-657 % similar 4-Methylbenzenecarbothioamide2362-62-156 % similar 4-Pyridinecarbothioamide2196-13-652 % similar 4-Fluorobenzamide824-75-952 % similar 4-Fluorobenzamidine2339-59-550 % similar 4-Methoxybenzenecarbothioamide2362-64-350 % similar 4-(1,1-Dimethylethyl)benzenecarbothioamide57774-77-350 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook