2,5-Dibromo-3-decylthiophene

C₁₄H₂₂Br₂SCAS 158956-23-1382.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₂₂Br₂S
Molar mass: 382.20 g/mol
Exact mass: 379.9809 Da
logP: 6.96Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 9

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

158956-23-1

SMILES

CCCCCCCCCCC1=C(SC(=C1)Br)Br

InChIKey

CQDSRZZKSUNTSB-UHFFFAOYSA-N

InChI

InChI=1S/C14H22Br2S/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h11H,2-10H2,1H3

Weigh it out

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

Work with 2,5-Dibromo-3-decylthiophene

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-dodecylthiophene148256-63-7100 % similar 2,5-Dibromo-3-octylthiophene149703-84-4100 % 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