4-methyl-3-(methylsulfanylmethyl)pyridine

C8H11NS — CID 89105159

IUPAC4-methyl-3-(methylsulfanylmethyl)pyridine
SMILESCSCc1cnccc1C
InChIInChI=1S/C8H11NS/c1-7-3-4-9-5-8(7)6-10-2/h3-5H,6H2,1-2H3
InChIKeyQJCGKDFWZHJKCH-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.25
Rot. Bonds2

About 4-methyl-3-(methylsulfanylmethyl)pyridine

4-methyl-3-(methylsulfanylmethyl)pyridine (PubChem CID 89105159) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 4-methyl-3-(methylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name4-methyl-3-(methylsulfanylmethyl)pyridine
PubChem CID89105159
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name4-methyl-3-(methylsulfanylmethyl)pyridine
SMILESCSCc1cnccc1C
InChIInChI=1S/C8H11NS/c1-7-3-4-9-5-8(7)6-10-2/h3-5H,6H2,1-2H3
InChIKeyQJCGKDFWZHJKCH-UHFFFAOYSA-N
XLogP2.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methylsulfanylmethyl)pyridine?
The IUPAC name of 4-methyl-3-(methylsulfanylmethyl)pyridine (CID 89105159) is 4-methyl-3-(methylsulfanylmethyl)pyridine.
What is the SMILES notation for 4-methyl-3-(methylsulfanylmethyl)pyridine?
The canonical SMILES for 4-methyl-3-(methylsulfanylmethyl)pyridine is CSCc1cnccc1C.
What is the InChIKey of 4-methyl-3-(methylsulfanylmethyl)pyridine?
The InChIKey is QJCGKDFWZHJKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-7-3-4-9-5-8(7)6-10-2/h3-5H,6H2,1-2H3.
What are the key properties of 4-methyl-3-(methylsulfanylmethyl)pyridine?
4-methyl-3-(methylsulfanylmethyl)pyridine has a molecular weight of 153.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methylsulfanylmethyl)pyridine is sourced from PubChem (CID 89105159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).