chempirical

2,5-Dibromo-3-octylthiophene

C12H18Br2SCAS 149703-84-4354.14 g/mol

Open in Covalent MOL file
SBrBr
Aryl halide

Properties

Molecular formula
C12H18Br2S
Molar mass
354.14 g/mol
Exact mass
351.9496 Da
logP
6.18Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
7

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
149703-84-4
SMILES
CCCCCCCCC1=C(SC(=C1)Br)Br
InChIKey
PJGBSUPPENVFAD-UHFFFAOYSA-N
InChI
InChI=1S/C12H18Br2S/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h9H,2-8H2,1H3

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Work with 2,5-Dibromo-3-octylthiophene

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

2,5-Dibromo-3-hexylthiophene116971-11-0100 % similar 2,5-Dibromo-3-dodecylthiophene148256-63-7100 % similar 2,5-Dibromo-3-decylthiophene158956-23-1100 % similar 2,5-Dibromo-3-butylthiophene116971-10-987 % similar 2-Bromo-5-hexylthiophene211737-28-956 % similar 2-Bromo-3-decylthiophene144012-09-954 % similar 2-Bromo-3-n-octylthiophene145543-83-554 % similar 2-Bromo-3-hexylthiophene69249-61-254 % similar

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

Elsewhere

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