2,6-bis(methylsulfanyl)-4-pyridin-3-ylpyridine

C12H12N2S2 — CID 14202030

IUPAC2,6-bis(methylsulfanyl)-4-pyridin-3-ylpyridine
SMILESCSc1cc(-c2cccnc2)cc(SC)n1
InChIInChI=1S/C12H12N2S2/c1-15-11-6-10(7-12(14-11)16-2)9-4-3-5-13-8-9/h3-8H,1-2H3
InChIKeyOPISAVPIMRXSNP-UHFFFAOYSA-N
MW248.38 g/mol
LogP3.59
Rot. Bonds3

About 2,6-bis(methylsulfanyl)-4-pyridin-3-ylpyridine

2,6-bis(methylsulfanyl)-4-pyridin-3-ylpyridine (PubChem CID 14202030) has the molecular formula C12H12N2S2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 2,6-bis(methylsulfanyl)-4-pyridin-3-ylpyridine.

Molecular Properties

Compound Name2,6-bis(methylsulfanyl)-4-pyridin-3-ylpyridine
PubChem CID14202030
Molecular FormulaC12H12N2S2
Molecular Weight248.38 g/mol
Exact Mass248.04
IUPAC Name2,6-bis(methylsulfanyl)-4-pyridin-3-ylpyridine
SMILESCSc1cc(-c2cccnc2)cc(SC)n1
InChIInChI=1S/C12H12N2S2/c1-15-11-6-10(7-12(14-11)16-2)9-4-3-5-13-8-9/h3-8H,1-2H3
InChIKeyOPISAVPIMRXSNP-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(methylsulfanyl)-4-pyridin-3-ylpyridine?
The IUPAC name of 2,6-bis(methylsulfanyl)-4-pyridin-3-ylpyridine (CID 14202030) is 2,6-bis(methylsulfanyl)-4-pyridin-3-ylpyridine.
What is the SMILES notation for 2,6-bis(methylsulfanyl)-4-pyridin-3-ylpyridine?
The canonical SMILES for 2,6-bis(methylsulfanyl)-4-pyridin-3-ylpyridine is CSc1cc(-c2cccnc2)cc(SC)n1.
What is the InChIKey of 2,6-bis(methylsulfanyl)-4-pyridin-3-ylpyridine?
The InChIKey is OPISAVPIMRXSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S2/c1-15-11-6-10(7-12(14-11)16-2)9-4-3-5-13-8-9/h3-8H,1-2H3.
What are the key properties of 2,6-bis(methylsulfanyl)-4-pyridin-3-ylpyridine?
2,6-bis(methylsulfanyl)-4-pyridin-3-ylpyridine has a molecular weight of 248.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(methylsulfanyl)-4-pyridin-3-ylpyridine is sourced from PubChem (CID 14202030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).