2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine

C15H17NOS — CID 47105922

IUPAC2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine
SMILESCc1cccc(C)c1OCCSc1ccccn1
InChIInChI=1S/C15H17NOS/c1-12-6-5-7-13(2)15(12)17-10-11-18-14-8-3-4-9-16-14/h3-9H,10-11H2,1-2H3
InChIKeySGIZUPOULBZSGQ-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.87
Rot. Bonds5

About 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine

2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine (PubChem CID 47105922) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine.

Molecular Properties

Compound Name2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine
PubChem CID47105922
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine
SMILESCc1cccc(C)c1OCCSc1ccccn1
InChIInChI=1S/C15H17NOS/c1-12-6-5-7-13(2)15(12)17-10-11-18-14-8-3-4-9-16-14/h3-9H,10-11H2,1-2H3
InChIKeySGIZUPOULBZSGQ-UHFFFAOYSA-N
XLogP3.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine?
The IUPAC name of 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine (CID 47105922) is 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine.
What is the SMILES notation for 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine?
The canonical SMILES for 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine is Cc1cccc(C)c1OCCSc1ccccn1.
What is the InChIKey of 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine?
The InChIKey is SGIZUPOULBZSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-12-6-5-7-13(2)15(12)17-10-11-18-14-8-3-4-9-16-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine?
2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine has a molecular weight of 259.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine is sourced from PubChem (CID 47105922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).