chempirical

1-(3-Trifluoromethylphenyl)imidazoline-2-thione

C10H7F3N2SCAS 17452-08-3244.24 g/mol

Open in Covalent MOL file
NHNSFFF
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
17452-08-3
SMILES
C1=CC(=CC(=C1)N2C=CNC2=S)C(F)(F)F
InChIKey
FQMZFHKIYYCCAX-UHFFFAOYSA-N
InChI
InChI=1S/C10H7F3N2S/c11-10(12,13)7-2-1-3-8(6-7)15-5-4-14-9(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-(3-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

3,5-Bis(trifluoromethyl)benzene402-31-343 % similar 1-(4-Methoxyphenyl)-1H-imidazole-2-thiol17452-14-142 % similar 1-Methyl-3-(trifluoromethyl)benzene401-79-640 % similar 3-(Trifluoromethyl)phenol98-17-940 % similar 3-Fluorobenzotrifluoride401-80-938 % similar 3-Trifluoromethylphenylboronic acid1423-26-337 % similar 3-(Trifluoromethyl)benzenemethanol349-75-737 % similar 1-Methoxy-3-(trifluoromethyl)benzene454-90-037 % similar

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

Same formula

1-(4-Trifluoromethylphenyl)imidazoline-2-thione17452-18-5 1,3-Dihydro-1-[2-(trifluoromethyl)phenyl]-2H-imidazole-2-thione25372-17-2

Elsewhere

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