2-Bromo-3-n-octylthiophene

C₁₂H₁₉BrSCAS 145543-83-5275.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₉BrS
Molar mass: 275.25 g/mol
Exact mass: 274.0391 Da
logP: 5.41Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 7

Hazards

H413 May cause long lasting harmful effects to aquatic life100% of notifiers

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

Precautionary statements

P273, P501

Identifiers

CAS number

145543-83-5

SMILES

CCCCCCCCC1=C(SC=C1)Br

InChIKey

ISONQKSIWXLJOQ-UHFFFAOYSA-N

InChI

InChI=1S/C12H19BrS/c1-2-3-4-5-6-7-8-11-9-10-14-12(11)13/h9-10H,2-8H2,1H3

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Names and synonyms

1 names

2-Bromo-3-octylthiophene

Work with 2-Bromo-3-n-octylthiophene

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-Bromo-3-decylthiophene144012-09-9100 % similar 2-Bromo-3-hexylthiophene69249-61-2100 % similar 2-Bromo-3-butylthiophene145543-82-486 % similar 2,5-Dibromo-3-hexylthiophene116971-11-054 % similar 2,5-Dibromo-3-dodecylthiophene148256-63-754 % similar 2,5-Dibromo-3-octylthiophene149703-84-454 % similar 2,5-Dibromo-3-decylthiophene158956-23-154 % similar 2-Bromo-3-(bromomethyl)thiophene40032-76-650 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook