chempirical

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

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

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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-butylthiophene116971-10-987 % similar 1-Bromo-4-dodecylbenzene126930-72-141 % similar 1-Bromo-4-nonylbenzene51554-94-041 % similar 2,5-Dibromo-3-methylthiophene13191-36-140 % similar 2,3,5-Tribromothiophene3141-24-038 % similar Hexylresorcinol136-77-638 % similar 4-Dodecylresorcinol24305-56-438 % similar 1-Bromo-4-pentylbenzene51554-95-138 % similar

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

Elsewhere

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