2,5-Dibromo-3-butylthiophene

C8H10Br2SCAS 116971-10-9298.04 g/mol

Open in Covalent MOL file
SBrBr
Aryl halide

Properties

Molecular formula
C8H10Br2S
Molar mass
298.04 g/mol
Exact mass
295.8870 Da
logP
4.62Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

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
116971-10-9
SMILES
CCCCC1=C(SC(=C1)Br)Br
InChIKey
YRSQCQUZWSQKKU-UHFFFAOYSA-N
InChI
InChI=1S/C8H10Br2S/c1-2-3-4-6-5-7(9)11-8(6)10/h5H,2-4H2,1H3

Weigh it out

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

Work with 2,5-Dibromo-3-butylthiophene

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-hexylthiophene116971-11-087 % similar 2,5-Dibromo-3-dodecylthiophene148256-63-787 % similar 2,5-Dibromo-3-octylthiophene149703-84-487 % similar 2,5-Dibromo-3-decylthiophene158956-23-187 % similar 2-Bromo-3-butylthiophene145543-82-451 % similar 2-Bromo-5-hexylthiophene211737-28-946 % similar 2-Bromo-3-decylthiophene144012-09-945 % similar 2-Bromo-3-n-octylthiophene145543-83-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook