chempirical

2-Bromo-3-hexylthiophene

C10H15BrSCAS 69249-61-2247.19 g/mol

Open in Covalent MOL file
SBr
Aryl halide

Properties

Molecular formula
C10H15BrS
Molar mass
247.19 g/mol
Exact mass
246.0078 Da
logP
4.63Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

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
69249-61-2
SMILES
CCCCCCC1=C(SC=C1)Br
InChIKey
XQJNXCHDODCAJF-UHFFFAOYSA-N
InChI
InChI=1S/C10H15BrS/c1-2-3-4-5-6-9-7-8-12-10(9)11/h7-8H,2-6H2,1H3

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Work with 2-Bromo-3-hexylthiophene

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-3-decylthiophene144012-09-9100 % similar 2-Bromo-3-n-octylthiophene145543-83-5100 % similar 2-Bromo-3-butylthiophene145543-82-486 % similar 2,5-Dibromo-3-hexylthiophene116971-11-054 % similar 2,5-Dibromo-3-dodecylthiophene148256-63-754 % similar 2,5-Dibromo-3-octylthiophene149703-84-454 % similar 2,5-Dibromo-3-decylthiophene158956-23-154 % similar 2-Bromo-3-(bromomethyl)thiophene40032-76-650 % similar

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

Same formula

2-Bromo-5-hexylthiophene211737-28-9

Elsewhere

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