7H-quinoline-8-thione

C9H7NS — CID 141013910

IUPAC7H-quinoline-8-thione
SMILESS=C1CC=Cc2cccnc21
InChIInChI=1S/C9H7NS/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-4,6H,5H2
InChIKeyXPLOAPDMQSMDLA-UHFFFAOYSA-N
MW161.23 g/mol
LogP2.22
Rot. Bonds

About 7H-quinoline-8-thione

7H-quinoline-8-thione (PubChem CID 141013910) has the molecular formula C9H7NS and a molecular weight of 161.23 g/mol. Its IUPAC name is 7H-quinoline-8-thione.

Molecular Properties

Compound Name7H-quinoline-8-thione
PubChem CID141013910
Molecular FormulaC9H7NS
Molecular Weight161.23 g/mol
Exact Mass161.03
IUPAC Name7H-quinoline-8-thione
SMILESS=C1CC=Cc2cccnc21
InChIInChI=1S/C9H7NS/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-4,6H,5H2
InChIKeyXPLOAPDMQSMDLA-UHFFFAOYSA-N
XLogP2.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7H-quinoline-8-thione?
The IUPAC name of 7H-quinoline-8-thione (CID 141013910) is 7H-quinoline-8-thione.
What is the SMILES notation for 7H-quinoline-8-thione?
The canonical SMILES for 7H-quinoline-8-thione is S=C1CC=Cc2cccnc21.
What is the InChIKey of 7H-quinoline-8-thione?
The InChIKey is XPLOAPDMQSMDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-4,6H,5H2.
What are the key properties of 7H-quinoline-8-thione?
7H-quinoline-8-thione has a molecular weight of 161.23 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-quinoline-8-thione is sourced from PubChem (CID 141013910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).