2,5-Dibromo-3-hexylthiophene

C10H14Br2SCAS 116971-11-0326.09 g/mol

Open in Covalent MOL file
BrSBr
Aryl halide

Properties

Molecular formula
C10H14Br2S
Molar mass
326.09 g/mol
Exact mass
323.9183 Da
logP
5.40Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Hazards

Not classified as hazardous under GHS by 38 ECHA notifiers. Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
116971-11-0
SMILES
CCCCCCc1cc(Br)sc1Br
InChIKey
NSYFIAVPXHGRSH-UHFFFAOYSA-N
InChI
InChI=1S/C10H14Br2S/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h7H,2-6H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • Thiophene, 2,5-dibromo-3-hexyl-

Work with 2,5-Dibromo-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

2,5-Dibromo-3-dodecylthiophene148256-63-7100 % 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

PubChem CAS Common Chemistry NIST WebBook