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

C₉H₇FN₂SCAS 17452-26-5194.23 g/mol

Open in Covalent MOL file

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

17452-26-5

SMILES

C1=CC(=CC(=C1)F)N2C=CNC2=S

InChIKey

BMCFCDCBHCVAIC-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 1-(3-Fluorophenyl)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-(3-Trifluoromethylphenyl)imidazoline-2-thione17452-08-364 % similar 1-(4-Chlorophenyl)-1H-imidazole-2-thiol17452-12-954 % similar 1-(4-Trifluoromethylphenyl)imidazoline-2-thione17452-18-550 % similar 1-(4-Bromophenyl)imidazoline-2-thione17452-23-250 % similar 1-(4-Methoxyphenyl)-1H-imidazole-2-thiol17452-14-146 % similar 1-(3-Fluorophenyl)imidazole25372-42-346 % similar 1,3-Difluorobenzene372-18-935 % similar 3-Fluorotoluene352-70-533 % similar

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

Same formula

1-(4-Fluorophenyl)-1H-imidazole-2(3H)-thione17452-07-2

Elsewhere

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