3-Butylthiophene

C₈H₁₂SCAS 34722-01-5140.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₂S
Molar mass: 140.24 g/mol
Exact mass: 140.0660 Da
logP: 3.09Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

34722-01-5

SMILES

CCCCC1=CSC=C1

InChIKey

KPOCSQCZXMATFR-UHFFFAOYSA-N

InChI

InChI=1S/C8H12S/c1-2-3-4-8-5-6-9-7-8/h5-7H,2-4H2,1H3

Weigh it out

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

Work with 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

Poly(3-hexylthiophene)104934-50-185 % similar 3-Dodecylthiophene104934-52-385 % similar 3-N-Octadecylthiophene104934-54-585 % similar 3-Tetradecylthiophene110851-66-685 % similar 3-Hexadecylthiophene119269-24-885 % similar 3-Hexylthiophene1693-86-385 % similar 3-Decylthiophene65016-55-985 % similar 3-Octylthiophene65016-62-885 % similar

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

Same formula

2-Butylthiophene1455-20-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook