2,6-dimethyl-4-(methylsulfanylmethyl)pyridine

C9H13NS — CID 131017484

IUPAC2,6-dimethyl-4-(methylsulfanylmethyl)pyridine
SMILESCSCc1cc(C)nc(C)c1
InChIInChI=1S/C9H13NS/c1-7-4-9(6-11-3)5-8(2)10-7/h4-5H,6H2,1-3H3
InChIKeyYTGYQIAFWXIWCM-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.56
Rot. Bonds2

About 2,6-dimethyl-4-(methylsulfanylmethyl)pyridine

2,6-dimethyl-4-(methylsulfanylmethyl)pyridine (PubChem CID 131017484) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 2,6-dimethyl-4-(methylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-(methylsulfanylmethyl)pyridine
PubChem CID131017484
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name2,6-dimethyl-4-(methylsulfanylmethyl)pyridine
SMILESCSCc1cc(C)nc(C)c1
InChIInChI=1S/C9H13NS/c1-7-4-9(6-11-3)5-8(2)10-7/h4-5H,6H2,1-3H3
InChIKeyYTGYQIAFWXIWCM-UHFFFAOYSA-N
XLogP2.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(methylsulfanylmethyl)pyridine?
The IUPAC name of 2,6-dimethyl-4-(methylsulfanylmethyl)pyridine (CID 131017484) is 2,6-dimethyl-4-(methylsulfanylmethyl)pyridine.
What is the SMILES notation for 2,6-dimethyl-4-(methylsulfanylmethyl)pyridine?
The canonical SMILES for 2,6-dimethyl-4-(methylsulfanylmethyl)pyridine is CSCc1cc(C)nc(C)c1.
What is the InChIKey of 2,6-dimethyl-4-(methylsulfanylmethyl)pyridine?
The InChIKey is YTGYQIAFWXIWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-7-4-9(6-11-3)5-8(2)10-7/h4-5H,6H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-(methylsulfanylmethyl)pyridine?
2,6-dimethyl-4-(methylsulfanylmethyl)pyridine has a molecular weight of 167.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(methylsulfanylmethyl)pyridine is sourced from PubChem (CID 131017484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).