2,6-bis(methylsulfanyl)pyridine

C7H9NS2 — CID 12560806

IUPAC2,6-bis(methylsulfanyl)pyridine
SMILESCSc1cccc(SC)n1
InChIInChI=1S/C7H9NS2/c1-9-6-4-3-5-7(8-6)10-2/h3-5H,1-2H3
InChIKeyKMXGSPJFNYXGGG-UHFFFAOYSA-N
MW171.29 g/mol
LogP2.53
Rot. Bonds2

About 2,6-bis(methylsulfanyl)pyridine

2,6-bis(methylsulfanyl)pyridine (PubChem CID 12560806) has the molecular formula C7H9NS2 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2,6-bis(methylsulfanyl)pyridine.

Molecular Properties

Compound Name2,6-bis(methylsulfanyl)pyridine
PubChem CID12560806
Molecular FormulaC7H9NS2
Molecular Weight171.29 g/mol
Exact Mass171.02
IUPAC Name2,6-bis(methylsulfanyl)pyridine
SMILESCSc1cccc(SC)n1
InChIInChI=1S/C7H9NS2/c1-9-6-4-3-5-7(8-6)10-2/h3-5H,1-2H3
InChIKeyKMXGSPJFNYXGGG-UHFFFAOYSA-N
XLogP2.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(methylsulfanyl)pyridine?
The IUPAC name of 2,6-bis(methylsulfanyl)pyridine (CID 12560806) is 2,6-bis(methylsulfanyl)pyridine.
What is the SMILES notation for 2,6-bis(methylsulfanyl)pyridine?
The canonical SMILES for 2,6-bis(methylsulfanyl)pyridine is CSc1cccc(SC)n1.
What is the InChIKey of 2,6-bis(methylsulfanyl)pyridine?
The InChIKey is KMXGSPJFNYXGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS2/c1-9-6-4-3-5-7(8-6)10-2/h3-5H,1-2H3.
What are the key properties of 2,6-bis(methylsulfanyl)pyridine?
2,6-bis(methylsulfanyl)pyridine has a molecular weight of 171.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(methylsulfanyl)pyridine is sourced from PubChem (CID 12560806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).