2-[[4-methyl-2-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine

C19H18N2S2 — CID 102259890

IUPAC2-[[4-methyl-2-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
SMILESCc1ccc(SCc2ccccn2)c(SCc2ccccn2)c1
InChIInChI=1S/C19H18N2S2/c1-15-8-9-18(22-13-16-6-2-4-10-20-16)19(12-15)23-14-17-7-3-5-11-21-17/h2-12H,13-14H2,1H3
InChIKeyKGXCCFCIEAIAGU-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.37
Rot. Bonds6

About 2-[[4-methyl-2-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine

2-[[4-methyl-2-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine (PubChem CID 102259890) has the molecular formula C19H18N2S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-[[4-methyl-2-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-[[4-methyl-2-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
PubChem CID102259890
Molecular FormulaC19H18N2S2
Molecular Weight338.50 g/mol
Exact Mass338.09
IUPAC Name2-[[4-methyl-2-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
SMILESCc1ccc(SCc2ccccn2)c(SCc2ccccn2)c1
InChIInChI=1S/C19H18N2S2/c1-15-8-9-18(22-13-16-6-2-4-10-20-16)19(12-15)23-14-17-7-3-5-11-21-17/h2-12H,13-14H2,1H3
InChIKeyKGXCCFCIEAIAGU-UHFFFAOYSA-N
XLogP5.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[4-methyl-2-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-2-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine?
The IUPAC name of 2-[[4-methyl-2-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine (CID 102259890) is 2-[[4-methyl-2-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine.
What is the SMILES notation for 2-[[4-methyl-2-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine?
The canonical SMILES for 2-[[4-methyl-2-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine is Cc1ccc(SCc2ccccn2)c(SCc2ccccn2)c1.
What is the InChIKey of 2-[[4-methyl-2-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine?
The InChIKey is KGXCCFCIEAIAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2S2/c1-15-8-9-18(22-13-16-6-2-4-10-20-16)19(12-15)23-14-17-7-3-5-11-21-17/h2-12H,13-14H2,1H3.
What are the key properties of 2-[[4-methyl-2-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine?
2-[[4-methyl-2-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine has a molecular weight of 338.50 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-2-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine is sourced from PubChem (CID 102259890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).