3H-1,7-naphthyridine-2-thione

C8H6N2S — CID 57209646

IUPAC3H-1,7-naphthyridine-2-thione
SMILESS=C1CC=c2ccncc2=N1
InChIInChI=1S/C8H6N2S/c11-8-2-1-6-3-4-9-5-7(6)10-8/h1,3-5H,2H2
InChIKeyATAYMXUZBTVOAG-UHFFFAOYSA-N
MW162.22 g/mol
LogP0.21
Rot. Bonds

About 3H-1,7-naphthyridine-2-thione

3H-1,7-naphthyridine-2-thione (PubChem CID 57209646) has the molecular formula C8H6N2S and a molecular weight of 162.22 g/mol. Its IUPAC name is 3H-1,7-naphthyridine-2-thione.

Molecular Properties

Compound Name3H-1,7-naphthyridine-2-thione
PubChem CID57209646
Molecular FormulaC8H6N2S
Molecular Weight162.22 g/mol
Exact Mass162.03
IUPAC Name3H-1,7-naphthyridine-2-thione
SMILESS=C1CC=c2ccncc2=N1
InChIInChI=1S/C8H6N2S/c11-8-2-1-6-3-4-9-5-7(6)10-8/h1,3-5H,2H2
InChIKeyATAYMXUZBTVOAG-UHFFFAOYSA-N
XLogP0.21
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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6-Fluoro-8-methylidenequinoline-4-thione
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CID 20367760
6H-quinazoline-2-thione
CID 57141459
2,3-Dihydro-1,7-naphthyridine
CID 91050521
2H-pyrazino[2,3-h][3]benzazepine
CID 91240707

Frequently Asked Questions

What is the IUPAC name of 3H-1,7-naphthyridine-2-thione?
The IUPAC name of 3H-1,7-naphthyridine-2-thione (CID 57209646) is 3H-1,7-naphthyridine-2-thione.
What is the SMILES notation for 3H-1,7-naphthyridine-2-thione?
The canonical SMILES for 3H-1,7-naphthyridine-2-thione is S=C1CC=c2ccncc2=N1.
What is the InChIKey of 3H-1,7-naphthyridine-2-thione?
The InChIKey is ATAYMXUZBTVOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S/c11-8-2-1-6-3-4-9-5-7(6)10-8/h1,3-5H,2H2.
What are the key properties of 3H-1,7-naphthyridine-2-thione?
3H-1,7-naphthyridine-2-thione has a molecular weight of 162.22 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-1,7-naphthyridine-2-thione is sourced from PubChem (CID 57209646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).