2-methyl-6-methylsulfanylpyridine

C7H9NS — CID 587005

IUPAC2-methyl-6-methylsulfanylpyridine
SMILESCSc1cccc(C)n1
InChIInChI=1S/C7H9NS/c1-6-4-3-5-7(8-6)9-2/h3-5H,1-2H3
InChIKeyXHDISCDDOYJLGJ-UHFFFAOYSA-N
MW139.22 g/mol
LogP2.11
Rot. Bonds1

About 2-methyl-6-methylsulfanylpyridine

2-methyl-6-methylsulfanylpyridine (PubChem CID 587005) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 2-methyl-6-methylsulfanylpyridine.

Molecular Properties

Compound Name2-methyl-6-methylsulfanylpyridine
PubChem CID587005
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name2-methyl-6-methylsulfanylpyridine
SMILESCSc1cccc(C)n1
InChIInChI=1S/C7H9NS/c1-6-4-3-5-7(8-6)9-2/h3-5H,1-2H3
InChIKeyXHDISCDDOYJLGJ-UHFFFAOYSA-N
XLogP2.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylsulfanylpyridine?
The IUPAC name of 2-methyl-6-methylsulfanylpyridine (CID 587005) is 2-methyl-6-methylsulfanylpyridine.
What is the SMILES notation for 2-methyl-6-methylsulfanylpyridine?
The canonical SMILES for 2-methyl-6-methylsulfanylpyridine is CSc1cccc(C)n1.
What is the InChIKey of 2-methyl-6-methylsulfanylpyridine?
The InChIKey is XHDISCDDOYJLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-6-4-3-5-7(8-6)9-2/h3-5H,1-2H3.
What are the key properties of 2-methyl-6-methylsulfanylpyridine?
2-methyl-6-methylsulfanylpyridine has a molecular weight of 139.22 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylsulfanylpyridine is sourced from PubChem (CID 587005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).