2,4-dimethyl-6-(pyridin-2-yldisulfanyl)pyridine

C12H12N2S2 — CID 57270391

IUPAC2,4-dimethyl-6-(pyridin-2-yldisulfanyl)pyridine
SMILESCc1cc(C)nc(SSc2ccccn2)c1
InChIInChI=1S/C12H12N2S2/c1-9-7-10(2)14-12(8-9)16-15-11-5-3-4-6-13-11/h3-8H,1-2H3
InChIKeyPPFJVNDRROUVDL-UHFFFAOYSA-N
MW248.38 g/mol
LogP3.89
Rot. Bonds3

About 2,4-dimethyl-6-(pyridin-2-yldisulfanyl)pyridine

2,4-dimethyl-6-(pyridin-2-yldisulfanyl)pyridine (PubChem CID 57270391) has the molecular formula C12H12N2S2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 2,4-dimethyl-6-(pyridin-2-yldisulfanyl)pyridine.

Molecular Properties

Compound Name2,4-dimethyl-6-(pyridin-2-yldisulfanyl)pyridine
PubChem CID57270391
Molecular FormulaC12H12N2S2
Molecular Weight248.38 g/mol
Exact Mass248.04
IUPAC Name2,4-dimethyl-6-(pyridin-2-yldisulfanyl)pyridine
SMILESCc1cc(C)nc(SSc2ccccn2)c1
InChIInChI=1S/C12H12N2S2/c1-9-7-10(2)14-12(8-9)16-15-11-5-3-4-6-13-11/h3-8H,1-2H3
InChIKeyPPFJVNDRROUVDL-UHFFFAOYSA-N
XLogP3.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
4-methyl-2-pyridin-2-ylsulfanylpyridine
CID 91863117
2-(pyridin-2-ylhexasulfanyl)pyridine
CID 87930543
2-(methyltrisulfanyl)pyridine
CID 123388448
2-chloro-6-(pyridin-2-yldisulfanyl)pyridine
CID 91874893
N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80883368
3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 102925843
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline
CID 102924564
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde
CID 102926074
methyl-(pyridin-2-yldisulfanyl)-sulfanylidene-λ4-sulfane
CID 167277036
4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
CID 2725934

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(pyridin-2-yldisulfanyl)pyridine?
The IUPAC name of 2,4-dimethyl-6-(pyridin-2-yldisulfanyl)pyridine (CID 57270391) is 2,4-dimethyl-6-(pyridin-2-yldisulfanyl)pyridine.
What is the SMILES notation for 2,4-dimethyl-6-(pyridin-2-yldisulfanyl)pyridine?
The canonical SMILES for 2,4-dimethyl-6-(pyridin-2-yldisulfanyl)pyridine is Cc1cc(C)nc(SSc2ccccn2)c1.
What is the InChIKey of 2,4-dimethyl-6-(pyridin-2-yldisulfanyl)pyridine?
The InChIKey is PPFJVNDRROUVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S2/c1-9-7-10(2)14-12(8-9)16-15-11-5-3-4-6-13-11/h3-8H,1-2H3.
What are the key properties of 2,4-dimethyl-6-(pyridin-2-yldisulfanyl)pyridine?
2,4-dimethyl-6-(pyridin-2-yldisulfanyl)pyridine has a molecular weight of 248.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(pyridin-2-yldisulfanyl)pyridine is sourced from PubChem (CID 57270391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).