4-methyl-2,6-bis(methylsulfanyl)pyridine

C8H11NS2 — CID 14202031

IUPAC4-methyl-2,6-bis(methylsulfanyl)pyridine
SMILESCSc1cc(C)cc(SC)n1
InChIInChI=1S/C8H11NS2/c1-6-4-7(10-2)9-8(5-6)11-3/h4-5H,1-3H3
InChIKeyBBGMCNJZBVWILW-UHFFFAOYSA-N
MW185.32 g/mol
LogP2.83
Rot. Bonds2

About 4-methyl-2,6-bis(methylsulfanyl)pyridine

4-methyl-2,6-bis(methylsulfanyl)pyridine (PubChem CID 14202031) has the molecular formula C8H11NS2 and a molecular weight of 185.32 g/mol. Its IUPAC name is 4-methyl-2,6-bis(methylsulfanyl)pyridine.

Molecular Properties

Compound Name4-methyl-2,6-bis(methylsulfanyl)pyridine
PubChem CID14202031
Molecular FormulaC8H11NS2
Molecular Weight185.32 g/mol
Exact Mass185.03
IUPAC Name4-methyl-2,6-bis(methylsulfanyl)pyridine
SMILESCSc1cc(C)cc(SC)n1
InChIInChI=1S/C8H11NS2/c1-6-4-7(10-2)9-8(5-6)11-3/h4-5H,1-3H3
InChIKeyBBGMCNJZBVWILW-UHFFFAOYSA-N
XLogP2.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(methylsulfanyl)pyridine?
The IUPAC name of 4-methyl-2,6-bis(methylsulfanyl)pyridine (CID 14202031) is 4-methyl-2,6-bis(methylsulfanyl)pyridine.
What is the SMILES notation for 4-methyl-2,6-bis(methylsulfanyl)pyridine?
The canonical SMILES for 4-methyl-2,6-bis(methylsulfanyl)pyridine is CSc1cc(C)cc(SC)n1.
What is the InChIKey of 4-methyl-2,6-bis(methylsulfanyl)pyridine?
The InChIKey is BBGMCNJZBVWILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS2/c1-6-4-7(10-2)9-8(5-6)11-3/h4-5H,1-3H3.
What are the key properties of 4-methyl-2,6-bis(methylsulfanyl)pyridine?
4-methyl-2,6-bis(methylsulfanyl)pyridine has a molecular weight of 185.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(methylsulfanyl)pyridine is sourced from PubChem (CID 14202031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).