3-ethenyl-2-methyl-6-methylsulfanylpyridine

C9H11NS — CID 102545933

IUPAC3-ethenyl-2-methyl-6-methylsulfanylpyridine
SMILESC=Cc1ccc(SC)nc1C
InChIInChI=1S/C9H11NS/c1-4-8-5-6-9(11-3)10-7(8)2/h4-6H,1H2,2-3H3
InChIKeyFYEFJKQQEQETMB-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.75
Rot. Bonds2

About 3-ethenyl-2-methyl-6-methylsulfanylpyridine

3-ethenyl-2-methyl-6-methylsulfanylpyridine (PubChem CID 102545933) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 3-ethenyl-2-methyl-6-methylsulfanylpyridine.

Molecular Properties

Compound Name3-ethenyl-2-methyl-6-methylsulfanylpyridine
PubChem CID102545933
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name3-ethenyl-2-methyl-6-methylsulfanylpyridine
SMILESC=Cc1ccc(SC)nc1C
InChIInChI=1S/C9H11NS/c1-4-8-5-6-9(11-3)10-7(8)2/h4-6H,1H2,2-3H3
InChIKeyFYEFJKQQEQETMB-UHFFFAOYSA-N
XLogP2.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethenyl-2-methyl-6-methylsulfanylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-methyl-6-methylsulfanylpyridine?
The IUPAC name of 3-ethenyl-2-methyl-6-methylsulfanylpyridine (CID 102545933) is 3-ethenyl-2-methyl-6-methylsulfanylpyridine.
What is the SMILES notation for 3-ethenyl-2-methyl-6-methylsulfanylpyridine?
The canonical SMILES for 3-ethenyl-2-methyl-6-methylsulfanylpyridine is C=Cc1ccc(SC)nc1C.
What is the InChIKey of 3-ethenyl-2-methyl-6-methylsulfanylpyridine?
The InChIKey is FYEFJKQQEQETMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-4-8-5-6-9(11-3)10-7(8)2/h4-6H,1H2,2-3H3.
What are the key properties of 3-ethenyl-2-methyl-6-methylsulfanylpyridine?
3-ethenyl-2-methyl-6-methylsulfanylpyridine has a molecular weight of 165.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-methyl-6-methylsulfanylpyridine is sourced from PubChem (CID 102545933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).