2H-2,6-naphthyridine-3-thione

C8H6N2S — CID 129305286

IUPAC2H-2,6-naphthyridine-3-thione
SMILESS=c1cc2cnccc2c[nH]1
InChIInChI=1S/C8H6N2S/c11-8-3-7-4-9-2-1-6(7)5-10-8/h1-5H,(H,10,11)
InChIKeyAXJANBKXTBKWNW-UHFFFAOYSA-N
MW162.22 g/mol
LogP2.29
Rot. Bonds

About 2H-2,6-naphthyridine-3-thione

2H-2,6-naphthyridine-3-thione (PubChem CID 129305286) has the molecular formula C8H6N2S and a molecular weight of 162.22 g/mol. Its IUPAC name is 2H-2,6-naphthyridine-3-thione.

Molecular Properties

Compound Name2H-2,6-naphthyridine-3-thione
PubChem CID129305286
Molecular FormulaC8H6N2S
Molecular Weight162.22 g/mol
Exact Mass162.03
IUPAC Name2H-2,6-naphthyridine-3-thione
SMILESS=c1cc2cnccc2c[nH]1
InChIInChI=1S/C8H6N2S/c11-8-3-7-4-9-2-1-6(7)5-10-8/h1-5H,(H,10,11)
InChIKeyAXJANBKXTBKWNW-UHFFFAOYSA-N
XLogP2.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2H-2,6-naphthyridine-3-thione 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 2H-2,6-naphthyridine-3-thione?
The IUPAC name of 2H-2,6-naphthyridine-3-thione (CID 129305286) is 2H-2,6-naphthyridine-3-thione.
What is the SMILES notation for 2H-2,6-naphthyridine-3-thione?
The canonical SMILES for 2H-2,6-naphthyridine-3-thione is S=c1cc2cnccc2c[nH]1.
What is the InChIKey of 2H-2,6-naphthyridine-3-thione?
The InChIKey is AXJANBKXTBKWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S/c11-8-3-7-4-9-2-1-6(7)5-10-8/h1-5H,(H,10,11).
What are the key properties of 2H-2,6-naphthyridine-3-thione?
2H-2,6-naphthyridine-3-thione has a molecular weight of 162.22 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-2,6-naphthyridine-3-thione is sourced from PubChem (CID 129305286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).