chempirical

2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene

C18H14BrFSCAS 1030825-20-7361.27 g/mol

Open in Covalent MOL file
BrSF
Aryl halide

Properties

Molecular formula
C18H14BrFS
Molar mass
361.27 g/mol
Exact mass
359.9984 Da
logP
6.22Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
1030825-20-7
SMILES
CC1=C(C=C(C=C1)Br)CC2=CC=C(S2)C3=CC=C(C=C3)F
InChIKey
VLRIERSBZHUCOW-UHFFFAOYSA-N
InChI
InChI=1S/C18H14BrFS/c1-12-2-5-15(19)10-14(12)11-17-8-9-18(21-17)13-3-6-16(20)7-4-13/h2-10H,11H2,1H3

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Work with 2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene

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

2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene898566-17-172 % similar Canagliflozin842133-18-052 % similar (1S)-1,5-Anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucitol 2,3,4,6-tetraacetate866607-35-446 % similar 5-(4-Fluorophenyl)-3-methyl-2-thiophenecarbonitrile175137-39-038 % similar 2-(Bromomethyl)-4-fluoro-1-methylbenzene261951-71-738 % similar 4-Bromo-4′-fluoro-1,1′-biphenyl398-21-038 % similar 4-Bromo-2-fluorotoluene51436-99-838 % similar 2-(4-Bromophenyl)-5-phenylthiophene118621-30-035 % similar

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

Elsewhere

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