chempirical

2,5-Dibromo-3-dodecylthiophene

C16H26Br2SCAS 148256-63-7410.25 g/mol

Open in Covalent MOL file
SBrBr
Aryl halide

Properties

Molecular formula
C16H26Br2S
Molar mass
410.25 g/mol
Exact mass
408.0122 Da
logP
7.74Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
11

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
148256-63-7
SMILES
CCCCCCCCCCCCC1=C(SC(=C1)Br)Br
InChIKey
ZIZGNWAMVWNAJT-UHFFFAOYSA-N
InChI
InChI=1S/C16H26Br2S/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h13H,2-12H2,1H3

Weigh it out

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

Work with 2,5-Dibromo-3-dodecylthiophene

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-octylthiophene149703-84-4100 % 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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