2-ethylsulfanyl-6-(methoxymethyl)pyridine

C9H13NOS — CID 14953561

IUPAC2-ethylsulfanyl-6-(methoxymethyl)pyridine
SMILESCCSc1cccc(COC)n1
InChIInChI=1S/C9H13NOS/c1-3-12-9-6-4-5-8(10-9)7-11-2/h4-6H,3,7H2,1-2H3
InChIKeyCZVSDGPLKSAZJH-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.34
Rot. Bonds4

About 2-ethylsulfanyl-6-(methoxymethyl)pyridine

2-ethylsulfanyl-6-(methoxymethyl)pyridine (PubChem CID 14953561) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-(methoxymethyl)pyridine.

Molecular Properties

Compound Name2-ethylsulfanyl-6-(methoxymethyl)pyridine
PubChem CID14953561
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-ethylsulfanyl-6-(methoxymethyl)pyridine
SMILESCCSc1cccc(COC)n1
InChIInChI=1S/C9H13NOS/c1-3-12-9-6-4-5-8(10-9)7-11-2/h4-6H,3,7H2,1-2H3
InChIKeyCZVSDGPLKSAZJH-UHFFFAOYSA-N
XLogP2.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-(methoxymethyl)pyridine?
The IUPAC name of 2-ethylsulfanyl-6-(methoxymethyl)pyridine (CID 14953561) is 2-ethylsulfanyl-6-(methoxymethyl)pyridine.
What is the SMILES notation for 2-ethylsulfanyl-6-(methoxymethyl)pyridine?
The canonical SMILES for 2-ethylsulfanyl-6-(methoxymethyl)pyridine is CCSc1cccc(COC)n1.
What is the InChIKey of 2-ethylsulfanyl-6-(methoxymethyl)pyridine?
The InChIKey is CZVSDGPLKSAZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-3-12-9-6-4-5-8(10-9)7-11-2/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-6-(methoxymethyl)pyridine?
2-ethylsulfanyl-6-(methoxymethyl)pyridine has a molecular weight of 183.28 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-(methoxymethyl)pyridine is sourced from PubChem (CID 14953561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).