2-(2,3-dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine

C10H12N2S2 — CID 123137850

IUPAC2-(2,3-dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine
SMILESC1=CC(SSC2=NCCC=C2)N=CC1
InChIInChI=1S/C10H12N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-2,5-7,9H,3-4,8H2
InChIKeyMHSCWNSHMCOYRV-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.08
Rot. Bonds2

About 2-(2,3-dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine

2-(2,3-dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine (PubChem CID 123137850) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(2,3-dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine.

Molecular Properties

Compound Name2-(2,3-dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine
PubChem CID123137850
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name2-(2,3-dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine
SMILESC1=CC(SSC2=NCCC=C2)N=CC1
InChIInChI=1S/C10H12N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-2,5-7,9H,3-4,8H2
InChIKeyMHSCWNSHMCOYRV-UHFFFAOYSA-N
XLogP3.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Propyldisulfanyl)-2,3-dihydropyridine
CID 60024987
(2,5-Dihydropyridin-2-yldisulfanyl)methanamine
CID 123566113
2-(2,3,4,5-Tetrahydropyridin-2-yldisulfanyl)-2,3-dihydropyridine
CID 123842204
2-(2,3-Dihydropyridin-2-yldisulfanyl)-2,3-dihydropyridine
CID 144974119
2-(2,3-Dihydropyridin-6-yldisulfanyl)-2,3-dihydropyridine
CID 163829527
(Z,Z)-N-[(2,3-dihydropyridin-6-yldisulfanyl)methyl]pent-2-en-4-yn-1-imine
CID 144489122

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine?
The IUPAC name of 2-(2,3-dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine (CID 123137850) is 2-(2,3-dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine.
What is the SMILES notation for 2-(2,3-dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine?
The canonical SMILES for 2-(2,3-dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine is C1=CC(SSC2=NCCC=C2)N=CC1.
What is the InChIKey of 2-(2,3-dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine?
The InChIKey is MHSCWNSHMCOYRV-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/h1-2,5-7,9H,3-4,8H2.
What are the key properties of 2-(2,3-dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine?
2-(2,3-dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine has a molecular weight of 224.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine is sourced from PubChem (CID 123137850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).