chempirical

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

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-methylthiophene13191-36-142 % similar 2,3,5-Tribromothiophene3141-24-041 % similar 2-Butyl-5-ethylthiophene54411-06-239 % similar 1-Bromo-4-butylbenzene41492-05-137 % similar 2,6-Dibromo-4,4-bis(2-ethylhexyl)-4H-silolo[3,2-B:4,5-B']dithiophene1089687-05-736 % similar 2,6-Dibromo-4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-B:3,4-B′]dithiophene365547-21-336 % similar 2,6-Dibromo-4,8-bis[(2-ethylhexyl)oxy]-benzo[1,2-B:4,5-B']dithiophene1226782-13-335 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook