1-(4-Chlorophenyl)-1H-imidazole-2-thiol

C₉H₇ClN₂SCAS 17452-12-9210.68 g/mol

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Properties

Molecular formula: C₉H₇ClN₂S
Molar mass: 210.68 g/mol
Exact mass: 210.0018 Da
logP: 3.19Crippen 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

17452-12-9

SMILES

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

InChIKey

QJWMVYCYPCPSKK-UHFFFAOYSA-N

InChI

InChI=1S/C9H7ClN2S/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-Chlorophenyl)imidazoline-2-thione

Work with 1-(4-Chlorophenyl)-1H-imidazole-2-thiol

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-Fluorophenyl)-1H-imidazole-2(3H)-thione17452-07-264 % similar 1-(4-Bromophenyl)imidazoline-2-thione17452-23-264 % similar 1-(4-Methoxyphenyl)-1H-imidazole-2-thiol17452-14-158 % similar 1-(4-Trifluoromethylphenyl)imidazoline-2-thione17452-18-558 % similar 1-(3-Fluorophenyl)imidazoline-2-thione17452-26-554 % similar 1-(3-Trifluoromethylphenyl)imidazoline-2-thione17452-08-349 % similar 1-(4-Chlorophenyl)-1H-pyrrole5044-38-239 % similar 1,4-Dichlorobenzene106-46-733 % similar

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

Same formula

4-(4-Chlorophenyl)-2-thiazolamine2103-99-3

Elsewhere

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