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

C₁₀H₁₀N₂OSCAS 17452-14-1206.26 g/mol

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Properties

Molecular formula: C₁₀H₁₀N₂OS
Molar mass: 206.26 g/mol
Exact mass: 206.0514 Da
logP: 2.54Crippen estimate
Polar surface area: 29.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

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

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Identifiers

CAS number

17452-14-1

SMILES

COC1=CC=C(C=C1)N2C=CNC2=S

InChIKey

LIEBCNQPMNARMP-UHFFFAOYSA-N

InChI

InChI=1S/C10H10N2OS/c1-13-9-4-2-8(3-5-9)12-7-6-11-10(12)14/h2-7H,1H3,(H,11,14)

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Names and synonyms

1 names

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

Work with 1-(4-Methoxyphenyl)-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)-thione17452-07-258 % similar 1-(4-Chlorophenyl)-1H-imidazole-2-thiol17452-12-958 % similar 1-(4-Bromophenyl)imidazoline-2-thione17452-23-258 % similar 1-(4-Trifluoromethylphenyl)imidazoline-2-thione17452-18-554 % similar 1-(3-Fluorophenyl)imidazoline-2-thione17452-26-546 % similar 1-(4-Methoxyphenyl)-1H-pyrrole5145-71-144 % similar 1-(4-Methoxyphenyl)-1H-imidazole10040-95-643 % similar 1-(3-Trifluoromethylphenyl)imidazoline-2-thione17452-08-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-4-(4-methoxyphenyl)thiazole2104-04-3 5-Methyl-3-phenyl-2-thioxoimidazolidin-4-one4333-19-1 2-Methyl-3-(furfurylthio)pyrazine59303-07-0

Elsewhere

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