chempirical

3-Nonylthiophene

C13H22SCAS 65016-63-9210.38 g/mol

Open in Covalent MOL file
S

Properties

Molecular formula
C13H22S
Molar mass
210.38 g/mol
Exact mass
210.1442 Da
logP
5.04Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
8

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
65016-63-9
SMILES
CCCCCCCCCC1=CSC=C1
InChIKey
UUHSVAMCIZLNDQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H22S/c1-2-3-4-5-6-7-8-9-13-10-11-14-12-13/h10-12H,2-9H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • 3-N-Nonylthiophene

Work with 3-Nonylthiophene

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-Octylthiophene65016-62-8100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook