chempirical

3-Octylthiophene

C12H20SCAS 65016-62-8196.35 g/mol

Open in Covalent MOL file
S

Properties

Molecular formula
C12H20S
Molar mass
196.35 g/mol
Exact mass
196.1286 Da
logP
4.65Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
65016-62-8
SMILES
CCCCCCCCC1=CSC=C1
InChIKey
WQYWXQCOYRZFAV-UHFFFAOYSA-N
InChI
InChI=1S/C12H20S/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-8H2,1H3

Weigh it out

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

Work with 3-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

Poly(3-hexylthiophene)104934-50-1100 % similar 3-Dodecylthiophene104934-52-3100 % similar 3-N-Octadecylthiophene104934-54-5100 % similar 3-Tetradecylthiophene110851-66-6100 % similar 3-Hexadecylthiophene119269-24-8100 % similar 3-Hexylthiophene1693-86-3100 % similar 3-Decylthiophene65016-55-9100 % similar 3-Nonylthiophene65016-63-9100 % similar

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

Same formula

3-(2-Ethylhexyl)thiophene121134-38-1 2-(2-Ethylhexyl)thiophene4891-44-5 2-Octylthiophene880-36-4

Elsewhere

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