8-ethenylsulfanylquinoline

C11H9NS — CID 3042205

IUPAC8-ethenylsulfanylquinoline
SMILESC=CSc1cccc2cccnc12
InChIInChI=1S/C11H9NS/c1-2-13-10-7-3-5-9-6-4-8-12-11(9)10/h2-8H,1H2
InChIKeyWJIHYQHEPPLQJF-UHFFFAOYSA-N
MW187.27 g/mol
LogP3.47
Rot. Bonds2

About 8-ethenylsulfanylquinoline

8-ethenylsulfanylquinoline (PubChem CID 3042205) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is 8-ethenylsulfanylquinoline.

Molecular Properties

Compound Name8-ethenylsulfanylquinoline
PubChem CID3042205
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC Name8-ethenylsulfanylquinoline
SMILESC=CSc1cccc2cccnc12
InChIInChI=1S/C11H9NS/c1-2-13-10-7-3-5-9-6-4-8-12-11(9)10/h2-8H,1H2
InChIKeyWJIHYQHEPPLQJF-UHFFFAOYSA-N
XLogP3.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-ethenylsulfanylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-ethenylsulfanylquinoline?
The IUPAC name of 8-ethenylsulfanylquinoline (CID 3042205) is 8-ethenylsulfanylquinoline.
What is the SMILES notation for 8-ethenylsulfanylquinoline?
The canonical SMILES for 8-ethenylsulfanylquinoline is C=CSc1cccc2cccnc12.
What is the InChIKey of 8-ethenylsulfanylquinoline?
The InChIKey is WJIHYQHEPPLQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS/c1-2-13-10-7-3-5-9-6-4-8-12-11(9)10/h2-8H,1H2.
What are the key properties of 8-ethenylsulfanylquinoline?
8-ethenylsulfanylquinoline has a molecular weight of 187.27 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenylsulfanylquinoline is sourced from PubChem (CID 3042205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).