4,5-dimethoxy-2-(methylsulfanylmethyl)pyridine

C9H13NO2S — CID 56666339

IUPAC4,5-dimethoxy-2-(methylsulfanylmethyl)pyridine
SMILESCOc1cnc(CSC)cc1OC
InChIInChI=1S/C9H13NO2S/c1-11-8-4-7(6-13-3)10-5-9(8)12-2/h4-5H,6H2,1-3H3
InChIKeyIRHJIKNWYWYPQQ-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.96
Rot. Bonds4

About 4,5-dimethoxy-2-(methylsulfanylmethyl)pyridine

4,5-dimethoxy-2-(methylsulfanylmethyl)pyridine (PubChem CID 56666339) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(methylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name4,5-dimethoxy-2-(methylsulfanylmethyl)pyridine
PubChem CID56666339
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name4,5-dimethoxy-2-(methylsulfanylmethyl)pyridine
SMILESCOc1cnc(CSC)cc1OC
InChIInChI=1S/C9H13NO2S/c1-11-8-4-7(6-13-3)10-5-9(8)12-2/h4-5H,6H2,1-3H3
InChIKeyIRHJIKNWYWYPQQ-UHFFFAOYSA-N
XLogP1.96
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(methylsulfanylmethyl)pyridine?
The IUPAC name of 4,5-dimethoxy-2-(methylsulfanylmethyl)pyridine (CID 56666339) is 4,5-dimethoxy-2-(methylsulfanylmethyl)pyridine.
What is the SMILES notation for 4,5-dimethoxy-2-(methylsulfanylmethyl)pyridine?
The canonical SMILES for 4,5-dimethoxy-2-(methylsulfanylmethyl)pyridine is COc1cnc(CSC)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(methylsulfanylmethyl)pyridine?
The InChIKey is IRHJIKNWYWYPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-11-8-4-7(6-13-3)10-5-9(8)12-2/h4-5H,6H2,1-3H3.
What are the key properties of 4,5-dimethoxy-2-(methylsulfanylmethyl)pyridine?
4,5-dimethoxy-2-(methylsulfanylmethyl)pyridine has a molecular weight of 199.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(methylsulfanylmethyl)pyridine is sourced from PubChem (CID 56666339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).