2,6-naphthyridine-4-thiol

C8H6N2S — CID 137209130

IUPAC2,6-naphthyridine-4-thiol
SMILESSc1cncc2ccncc12
InChIInChI=1S/C8H6N2S/c11-8-5-10-3-6-1-2-9-4-7(6)8/h1-5,11H
InChIKeyVKBUEFZGKBKQGF-UHFFFAOYSA-N
MW162.22 g/mol
LogP1.92
Rot. Bonds

About 2,6-naphthyridine-4-thiol

2,6-naphthyridine-4-thiol (PubChem CID 137209130) has the molecular formula C8H6N2S and a molecular weight of 162.22 g/mol. Its IUPAC name is 2,6-naphthyridine-4-thiol.

Molecular Properties

Compound Name2,6-naphthyridine-4-thiol
PubChem CID137209130
Molecular FormulaC8H6N2S
Molecular Weight162.22 g/mol
Exact Mass162.03
IUPAC Name2,6-naphthyridine-4-thiol
SMILESSc1cncc2ccncc12
InChIInChI=1S/C8H6N2S/c11-8-5-10-3-6-1-2-9-4-7(6)8/h1-5,11H
InChIKeyVKBUEFZGKBKQGF-UHFFFAOYSA-N
XLogP1.92
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,6-naphthyridin-4-ylmethanol
CID 84651029
2,9-phenanthroline
CID 23271029
3,8-phenanthroline
CID 13064691
pyrido[3,4-f]phthalazine
CID 122577314
4-aminopyridine-3-thiol
CID 14062661
2-methyl-2-(2,6-naphthyridin-4-yl)propanenitrile
CID 84774379
8,44-diazadodecacyclo[24.24.0.02,23.03,20.04,17.05,14.06,11.029,50.032,49.035,48.038,47.041,46]pentaconta-1(26),2(23),3(20),4(17),5(14),6(11),7,9,12,15,18,21,24,27,29(50),30,32(49),33,35(48),36,38(47),39,41(46),42,44-pentacosaene
CID 122389532
thieno[3,2-c]pyridine-3-thiol
CID 156766861
pyrido[4,3-h]quinazoline
CID 118895264
isoquinolin-8-ol
CID 135441711
6-bromoisoquinolin-8-amine
CID 155895327
[1,2]oxazolo[3,4-f]isoquinoline
CID 91665541

Frequently Asked Questions

What is the IUPAC name of 2,6-naphthyridine-4-thiol?
The IUPAC name of 2,6-naphthyridine-4-thiol (CID 137209130) is 2,6-naphthyridine-4-thiol.
What is the SMILES notation for 2,6-naphthyridine-4-thiol?
The canonical SMILES for 2,6-naphthyridine-4-thiol is Sc1cncc2ccncc12.
What is the InChIKey of 2,6-naphthyridine-4-thiol?
The InChIKey is VKBUEFZGKBKQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S/c11-8-5-10-3-6-1-2-9-4-7(6)8/h1-5,11H.
What are the key properties of 2,6-naphthyridine-4-thiol?
2,6-naphthyridine-4-thiol has a molecular weight of 162.22 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-naphthyridine-4-thiol is sourced from PubChem (CID 137209130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).