2-Bromo-3-butylthiophene

C₈H₁₁BrSCAS 145543-82-4219.14 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₈H₁₁BrS
Molar mass: 219.14 g/mol
Exact mass: 217.9765 Da
logP: 3.85Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

145543-82-4

SMILES

CCCCC1=C(SC=C1)Br

InChIKey

KNBLITSBUDZSJW-UHFFFAOYSA-N

InChI

InChI=1S/C8H11BrS/c1-2-3-4-7-5-6-10-8(7)9/h5-6H,2-4H2,1H3

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

Names and synonyms

1 names

2-Bromo-3-butyl thiophene

Work with 2-Bromo-3-butylthiophene

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-decylthiophene144012-09-986 % similar 2-Bromo-3-n-octylthiophene145543-83-586 % similar 2-Bromo-3-hexylthiophene69249-61-286 % similar 2-Bromo-3-(bromomethyl)thiophene40032-76-653 % similar 2,5-Dibromo-3-butylthiophene116971-10-951 % similar (2-Bromothien-3-yl)methanol70260-16-150 % similar 2,5-Dibromo-3-hexylthiophene116971-11-045 % similar 2,5-Dibromo-3-dodecylthiophene148256-63-745 % similar

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

Elsewhere

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