2,3-dimethoxy-6-methylsulfanylpyridine

C8H11NO2S — CID 123328458

IUPAC2,3-dimethoxy-6-methylsulfanylpyridine
SMILESCOc1ccc(SC)nc1OC
InChIInChI=1S/C8H11NO2S/c1-10-6-4-5-7(12-3)9-8(6)11-2/h4-5H,1-3H3
InChIKeyYQRYRLOCLZLCKP-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.82
Rot. Bonds3

About 2,3-dimethoxy-6-methylsulfanylpyridine

2,3-dimethoxy-6-methylsulfanylpyridine (PubChem CID 123328458) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2,3-dimethoxy-6-methylsulfanylpyridine.

Molecular Properties

Compound Name2,3-dimethoxy-6-methylsulfanylpyridine
PubChem CID123328458
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2,3-dimethoxy-6-methylsulfanylpyridine
SMILESCOc1ccc(SC)nc1OC
InChIInChI=1S/C8H11NO2S/c1-10-6-4-5-7(12-3)9-8(6)11-2/h4-5H,1-3H3
InChIKeyYQRYRLOCLZLCKP-UHFFFAOYSA-N
XLogP1.82
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-6-methylsulfanylpyridine?
The IUPAC name of 2,3-dimethoxy-6-methylsulfanylpyridine (CID 123328458) is 2,3-dimethoxy-6-methylsulfanylpyridine.
What is the SMILES notation for 2,3-dimethoxy-6-methylsulfanylpyridine?
The canonical SMILES for 2,3-dimethoxy-6-methylsulfanylpyridine is COc1ccc(SC)nc1OC.
What is the InChIKey of 2,3-dimethoxy-6-methylsulfanylpyridine?
The InChIKey is YQRYRLOCLZLCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-10-6-4-5-7(12-3)9-8(6)11-2/h4-5H,1-3H3.
What are the key properties of 2,3-dimethoxy-6-methylsulfanylpyridine?
2,3-dimethoxy-6-methylsulfanylpyridine has a molecular weight of 185.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-6-methylsulfanylpyridine is sourced from PubChem (CID 123328458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).