chempirical

7-(Trifluoromethyl)-4-quinolinethiol

C10H6F3NSCAS 64415-07-2229.22 g/mol

Open in Covalent MOL file
FFFSHN
Alkyl halide

Properties

Molecular formula
C10H6F3NS
Molar mass
229.22 g/mol
Exact mass
229.0173 Da
logP
3.92Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
64415-07-2
SMILES
FC(F)(F)c1ccc2c(=S)cc[nH]c2c1
InChIKey
DBWDEWRMEKXOFI-UHFFFAOYSA-N
InChI
InChI=1S/C10H6F3NS/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)

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

Names and synonyms

3 names
  • 4-Quinolinethiol, 7-(trifluoromethyl)-
  • 7-Trifluoromethyl-4-quinolinethiol
  • RO 6856312

Work with 7-(Trifluoromethyl)-4-quinolinethiol

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-Hydroxy-7-(trifluoromethyl)quinoline322-97-462 % similar 5-(Trifluoromethyl)-1H-indole100846-24-053 % similar 4-Bromo-6-(trifluoromethyl)-1H-indole1000342-93-751 % similar 6-(Trifluoromethyl)-4-quinolinol49713-51-150 % similar 4-Hydroxy-7-(trifluoromethyl)-3-quinolinecarboxylic acid574-92-541 % similar 4-(Trifluoromethyl)-1H-indole128562-95-838 % similar 1,4-Bis(trifluoromethyl)benzene433-19-235 % similar 3,5-Bis(trifluoromethyl)benzene402-31-335 % similar

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

Elsewhere

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