2,6-bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine

C19H19N3S2 — CID 90999322

IUPAC2,6-bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine
SMILESCc1cccc(SCc2cccc(CSc3cccc(C)n3)n2)n1
InChIInChI=1S/C19H19N3S2/c1-14-6-3-10-18(20-14)23-12-16-8-5-9-17(22-16)13-24-19-11-4-7-15(2)21-19/h3-11H,12-13H2,1-2H3
InChIKeyISQSSOVPCFZWBT-UHFFFAOYSA-N
MW353.52 g/mol
LogP5.07
Rot. Bonds6

About 2,6-bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine

2,6-bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine (PubChem CID 90999322) has the molecular formula C19H19N3S2 and a molecular weight of 353.52 g/mol. Its IUPAC name is 2,6-bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2,6-bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine
PubChem CID90999322
Molecular FormulaC19H19N3S2
Molecular Weight353.52 g/mol
Exact Mass353.10
IUPAC Name2,6-bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine
SMILESCc1cccc(SCc2cccc(CSc3cccc(C)n3)n2)n1
InChIInChI=1S/C19H19N3S2/c1-14-6-3-10-18(20-14)23-12-16-8-5-9-17(22-16)13-24-19-11-4-7-15(2)21-19/h3-11H,12-13H2,1-2H3
InChIKeyISQSSOVPCFZWBT-UHFFFAOYSA-N
XLogP5.07
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.52
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,6-bis[(6-methyl-2-pyridinyl)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

Related Compounds

2-Methyl-6-[3-(phenylthio)prop-1-yn-1-yl]pyridine
CID 11333903
2,6-Bis(2-pyridylthiomethyl)pyridine
CID 678980
2-Picoline, 6-(ethylthio)-
CID 577760
2-Methyl-6-(methylthio)pyridine
CID 587005
2,6-Bis([(2-pyridinylmethyl)thio]methyl) pyridine
CID 101050591
Tyrosinase-IN-33
CID 12088955
2-Methyl-6-((phenylthio)methyl)pyridine
CID 15478590
2-(Methylsulfanyl)-6-propylpyridine
CID 57175788
2-[Fluoro-bis(6-phenylsulfanyl-2-pyridinyl)methyl]-6-phenylsulfanylpyridine
CID 58106777
2-Ethylsulfanyl-6-(trifluoromethyl)pyridine
CID 142669772
Bis[(1-hydroxy-6-methyl-pyridin-1-ium-2-yl)sulfanyl]-(6-methyl-1-oxido-pyridin-1-ium-2-yl)sulfanyl-cobalt
CID 499217
2,6-Bis-isopropylsulfanyl-pyridine
CID 13433409

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine?
The IUPAC name of 2,6-bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine (CID 90999322) is 2,6-bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine.
What is the SMILES notation for 2,6-bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine?
The canonical SMILES for 2,6-bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine is Cc1cccc(SCc2cccc(CSc3cccc(C)n3)n2)n1.
What is the InChIKey of 2,6-bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine?
The InChIKey is ISQSSOVPCFZWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S2/c1-14-6-3-10-18(20-14)23-12-16-8-5-9-17(22-16)13-24-19-11-4-7-15(2)21-19/h3-11H,12-13H2,1-2H3.
What are the key properties of 2,6-bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine?
2,6-bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine has a molecular weight of 353.52 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(6-methyl-2-pyridinyl)sulfanylmethyl]pyridine is sourced from PubChem (CID 90999322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).