chempirical

2-(4-Bromophenyl)-5-phenylthiophene

C16H11BrSCAS 118621-30-0315.23 g/mol

Open in Covalent MOL file
SBr
Aryl halide

Properties

Molecular formula
C16H11BrS
Molar mass
315.23 g/mol
Exact mass
313.9765 Da
logP
5.84Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
118621-30-0
SMILES
C1=CC=C(C=C1)C2=CC=C(S2)C3=CC=C(C=C3)Br
InChIKey
YMDCOEOZWHXGTM-UHFFFAOYSA-N
InChI
InChI=1S/C16H11BrS/c17-14-8-6-13(7-9-14)16-11-10-15(18-16)12-4-2-1-3-5-12/h1-11H

Weigh it out

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

Work with 2-(4-Bromophenyl)-5-phenylthiophene

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-Bromo-5-phenylthiophene29488-24-259 % similar 4-Bromo-5′-phenyl-1,1′:3′,1′′-terphenyl116941-52-758 % similar N-(4-Bromophenyl)-[1,1'-biphenyl]-4-amine1160294-93-852 % similar Bromobenzene108-86-148 % similar 4,4′-Dibromobiphenyl92-86-448 % similar 1-Bromo-3,5-diphenylbenzene103068-20-843 % similar 3,5-Dibromobiphenyl16372-96-643 % similar 2-(4-Bromophenyl)benzothiazole19654-19-443 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook