2-Bromo-5-hexylthiophene

C₁₀H₁₅BrSCAS 211737-28-9247.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₅BrS
Molar mass: 247.19 g/mol
Exact mass: 246.0078 Da
logP: 4.63Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 5

Hazards

Danger

H301 Toxic if swallowed95.2% of notifiers
H318 Causes serious eye damage95.2% of notifiers
H413 May cause long lasting harmful effects to aquatic life95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, P501

Identifiers

CAS number

211737-28-9

SMILES

CCCCCCC1=CC=C(S1)Br

InChIKey

LSIYDKGTGHFTFW-UHFFFAOYSA-N

InChI

InChI=1S/C10H15BrS/c1-2-3-4-5-6-9-7-8-10(11)12-9/h7-8H,2-6H2,1H3

Weigh it out

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

Names and synonyms

1 names

5-Bromo-2-hexylthiophene

Work with 2-Bromo-5-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-hexylthiophene116971-11-056 % similar 2,5-Dibromo-3-dodecylthiophene148256-63-756 % similar 2,5-Dibromo-3-octylthiophene149703-84-456 % similar 2,5-Dibromo-3-decylthiophene158956-23-156 % similar 2-Butyl-5-ethylthiophene54411-06-252 % similar 2-Hexylthiophene18794-77-949 % similar 2-Octylthiophene880-36-449 % similar 1-Bromo-4-dodecylbenzene126930-72-147 % similar

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

Same formula

2-Bromo-3-hexylthiophene69249-61-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook