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

C₉H₇BrN₂SCAS 17452-23-2255.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₇BrN₂S
Molar mass: 255.13 g/mol
Exact mass: 253.9513 Da
logP: 3.30Crippen 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

17452-23-2

SMILES

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

InChIKey

ZKPXIPSWVWPFDF-UHFFFAOYSA-N

InChI

InChI=1S/C9H7BrN2S/c10-7-1-3-8(4-2-7)12-6-5-11-9(12)13/h1-6H,(H,11,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-(4-Bromophenyl)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-(4-Fluorophenyl)-1H-imidazole-2(3H)-thione17452-07-264 % similar 1-(4-Chlorophenyl)-1H-imidazole-2-thiol17452-12-964 % 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-thione17452-26-550 % similar 1-(3-Trifluoromethylphenyl)imidazoline-2-thione17452-08-345 % similar 1-(4-Bromophenyl)imidazole10040-96-738 % similar 1,4-Dibromobenzene106-37-633 % similar

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

Same formula

4-(3-Bromo-phenyl)-thiazol-2-ylamine105512-81-0 4-(4-Bromophenyl)-1,3-thiazol-2-amine2103-94-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook