3-Dodecylthiophene

C₁₆H₂₈SCAS 104934-52-3252.46 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₂₈S
Molar mass: 252.46 g/mol
Exact mass: 252.1912 Da
logP: 6.21Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 11

Identifiers

CAS number

104934-52-3

SMILES

CCCCCCCCCCCCC1=CSC=C1

InChIKey

RFKWIEFTBMACPZ-UHFFFAOYSA-N

InChI

InChI=1S/C16H28S/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16/h13-15H,2-12H2,1H3

Weigh it out

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

Work with 3-Dodecylthiophene

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)104934-50-1100 % similar 3-N-Octadecylthiophene104934-54-5100 % similar 3-Tetradecylthiophene110851-66-6100 % similar 3-Hexadecylthiophene119269-24-8100 % similar 3-Hexylthiophene1693-86-3100 % similar Decylbenzene104-72-357 % similar Hexylbenzene1077-16-357 % similar Heptylbenzene1078-71-357 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook