2-[(4,6-dimethyl-2-pyridinyl)disulfanyl]-4,6-dimethylpyridine

C14H16N2S2 — CID 57116865

IUPAC2-[(4,6-dimethyl-2-pyridinyl)disulfanyl]-4,6-dimethylpyridine
SMILESCc1cc(C)nc(SSc2cc(C)cc(C)n2)c1
InChIInChI=1S/C14H16N2S2/c1-9-5-11(3)15-13(7-9)17-18-14-8-10(2)6-12(4)16-14/h5-8H,1-4H3
InChIKeySIEIXEIYCPXSQV-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.51
Rot. Bonds3

About 2-[(4,6-dimethyl-2-pyridinyl)disulfanyl]-4,6-dimethylpyridine

2-[(4,6-dimethyl-2-pyridinyl)disulfanyl]-4,6-dimethylpyridine (PubChem CID 57116865) has the molecular formula C14H16N2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)disulfanyl]-4,6-dimethylpyridine.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)disulfanyl]-4,6-dimethylpyridine
PubChem CID57116865
Molecular FormulaC14H16N2S2
Molecular Weight276.43 g/mol
Exact Mass276.08
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)disulfanyl]-4,6-dimethylpyridine
SMILESCc1cc(C)nc(SSc2cc(C)cc(C)n2)c1
InChIInChI=1S/C14H16N2S2/c1-9-5-11(3)15-13(7-9)17-18-14-8-10(2)6-12(4)16-14/h5-8H,1-4H3
InChIKeySIEIXEIYCPXSQV-UHFFFAOYSA-N
XLogP4.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
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-[(4,6-dimethyl-2-pyridinyl)disulfanyl]-4,6-dimethylpyridine?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)disulfanyl]-4,6-dimethylpyridine (CID 57116865) is 2-[(4,6-dimethyl-2-pyridinyl)disulfanyl]-4,6-dimethylpyridine.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)disulfanyl]-4,6-dimethylpyridine?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)disulfanyl]-4,6-dimethylpyridine is Cc1cc(C)nc(SSc2cc(C)cc(C)n2)c1.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)disulfanyl]-4,6-dimethylpyridine?
The InChIKey is SIEIXEIYCPXSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S2/c1-9-5-11(3)15-13(7-9)17-18-14-8-10(2)6-12(4)16-14/h5-8H,1-4H3.
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)disulfanyl]-4,6-dimethylpyridine?
2-[(4,6-dimethyl-2-pyridinyl)disulfanyl]-4,6-dimethylpyridine has a molecular weight of 276.43 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)disulfanyl]-4,6-dimethylpyridine is sourced from PubChem (CID 57116865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).