1-(4-Fluorophenyl)-1H-imidazole-2(3H)-thione

C₉H₇FN₂SCAS 17452-07-2194.23 g/mol

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Properties

Molecular formula: C₉H₇FN₂S
Molar mass: 194.23 g/mol
Exact mass: 194.0314 Da
logP: 2.67Crippen estimate
Polar surface area: 20.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

17452-07-2

SMILES

C1=CC(=CC=C1N2C=CNC2=S)F

InChIKey

GWYZXHXGBADGGC-UHFFFAOYSA-N

InChI

InChI=1S/C9H7FN2S/c10-7-1-3-8(4-2-7)12-6-5-11-9(12)13/h1-6H,(H,11,13)

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Names and synonyms

1 names

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

Work with 1-(4-Fluorophenyl)-1H-imidazole-2(3H)-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-Chlorophenyl)-1H-imidazole-2-thiol17452-12-964 % similar 1-(4-Bromophenyl)imidazoline-2-thione17452-23-264 % similar 1-(4-Trifluoromethylphenyl)imidazoline-2-thione17452-18-563 % similar 1-(4-Methoxyphenyl)-1H-imidazole-2-thiol17452-14-158 % similar 1-(3-Trifluoromethylphenyl)imidazoline-2-thione17452-08-349 % similar N-(4-Fluorophenyl)pyrrole81329-31-939 % similar 1-(4-Fluorophenyl)imidazole21441-24-738 % similar 1,4-Difluorobenzene540-36-333 % similar

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

Same formula

1-(3-Fluorophenyl)imidazoline-2-thione17452-26-5 4-(4-Fluorophenyl)-1,3-thiazol-2-amine77815-14-6

Elsewhere

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