2-(1,2-dihydropyridin-2-yldisulfanyl)-1,2-dihydropyridine

C10H12N2S2 — CID 11608273

IUPAC2-(1,2-dihydropyridin-2-yldisulfanyl)-1,2-dihydropyridine
SMILESC1=CNC(SSC2C=CC=CN2)C=C1
InChIInChI=1S/C10H12N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-12H
InChIKeyQPTOIPBIFANHBI-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.37
Rot. Bonds3

About 2-(1,2-dihydropyridin-2-yldisulfanyl)-1,2-dihydropyridine

2-(1,2-dihydropyridin-2-yldisulfanyl)-1,2-dihydropyridine (PubChem CID 11608273) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-2-yldisulfanyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-2-yldisulfanyl)-1,2-dihydropyridine
PubChem CID11608273
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name2-(1,2-dihydropyridin-2-yldisulfanyl)-1,2-dihydropyridine
SMILESC1=CNC(SSC2C=CC=CN2)C=C1
InChIInChI=1S/C10H12N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-12H
InChIKeyQPTOIPBIFANHBI-UHFFFAOYSA-N
XLogP2.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-2-yldisulfanyl)-1,2-dihydropyridine?
The IUPAC name of 2-(1,2-dihydropyridin-2-yldisulfanyl)-1,2-dihydropyridine (CID 11608273) is 2-(1,2-dihydropyridin-2-yldisulfanyl)-1,2-dihydropyridine.
What is the SMILES notation for 2-(1,2-dihydropyridin-2-yldisulfanyl)-1,2-dihydropyridine?
The canonical SMILES for 2-(1,2-dihydropyridin-2-yldisulfanyl)-1,2-dihydropyridine is C1=CNC(SSC2C=CC=CN2)C=C1.
What is the InChIKey of 2-(1,2-dihydropyridin-2-yldisulfanyl)-1,2-dihydropyridine?
The InChIKey is QPTOIPBIFANHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-12H.
What are the key properties of 2-(1,2-dihydropyridin-2-yldisulfanyl)-1,2-dihydropyridine?
2-(1,2-dihydropyridin-2-yldisulfanyl)-1,2-dihydropyridine has a molecular weight of 224.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-2-yldisulfanyl)-1,2-dihydropyridine is sourced from PubChem (CID 11608273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).