chempirical

1-(4-Trifluoromethylphenyl)imidazoline-2-thione

C10H7F3N2SCAS 17452-18-5244.24 g/mol

Open in Covalent MOL file
FFFNNHS
Alkyl halide

Properties

Molecular formula
C10H7F3N2S
Molar mass
244.24 g/mol
Exact mass
244.0282 Da
logP
3.55Crippen estimate
Polar surface area
20.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
17452-18-5
SMILES
C1=CC(=CC=C1C(F)(F)F)N2C=CNC2=S
InChIKey
GEUKXLKPQGIDDE-UHFFFAOYSA-N
InChI
InChI=1S/C10H7F3N2S/c11-10(12,13)7-1-3-8(4-2-7)15-6-5-14-9(15)16/h1-6H,(H,14,16)

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

Work with 1-(4-Trifluoromethylphenyl)imidazoline-2-thione

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-Methoxyphenyl)-1H-imidazole-2-thiol17452-14-154 % similar 1,4-Bis(trifluoromethyl)benzene433-19-240 % similar 4-(Trifluoromethyl)phenol402-45-937 % similar 1-Methyl-4-(trifluoromethyl)benzene6140-17-637 % similar 7-(Trifluoromethyl)-4-quinolinethiol64415-07-236 % similar 4-Fluorobenzotrifluoride402-44-834 % similar 4-(Trifluoromethyl)phenylboronic acid128796-39-434 % similar 4-(Trifluoromethyl)benzenemethanol349-95-134 % similar

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

Same formula

1-(3-Trifluoromethylphenyl)imidazoline-2-thione17452-08-3 1,3-Dihydro-1-[2-(trifluoromethyl)phenyl]-2H-imidazole-2-thione25372-17-2

Elsewhere

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