2-(2-ethoxyethylsulfanyl)pyridine

C9H13NOS — CID 86277435

IUPAC2-(2-ethoxyethylsulfanyl)pyridine
SMILESCCOCCSc1ccccn1
InChIInChI=1S/C9H13NOS/c1-2-11-7-8-12-9-5-3-4-6-10-9/h3-6H,2,7-8H2,1H3
InChIKeyUAVRGADSJSCBOJ-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.21
Rot. Bonds5

About 2-(2-ethoxyethylsulfanyl)pyridine

2-(2-ethoxyethylsulfanyl)pyridine (PubChem CID 86277435) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfanyl)pyridine.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfanyl)pyridine
PubChem CID86277435
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-(2-ethoxyethylsulfanyl)pyridine
SMILESCCOCCSc1ccccn1
InChIInChI=1S/C9H13NOS/c1-2-11-7-8-12-9-5-3-4-6-10-9/h3-6H,2,7-8H2,1H3
InChIKeyUAVRGADSJSCBOJ-UHFFFAOYSA-N
XLogP2.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.21
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-ethoxyethylsulfanyl)pyridine?
The IUPAC name of 2-(2-ethoxyethylsulfanyl)pyridine (CID 86277435) is 2-(2-ethoxyethylsulfanyl)pyridine.
What is the SMILES notation for 2-(2-ethoxyethylsulfanyl)pyridine?
The canonical SMILES for 2-(2-ethoxyethylsulfanyl)pyridine is CCOCCSc1ccccn1.
What is the InChIKey of 2-(2-ethoxyethylsulfanyl)pyridine?
The InChIKey is UAVRGADSJSCBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-2-11-7-8-12-9-5-3-4-6-10-9/h3-6H,2,7-8H2,1H3.
What are the key properties of 2-(2-ethoxyethylsulfanyl)pyridine?
2-(2-ethoxyethylsulfanyl)pyridine has a molecular weight of 183.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfanyl)pyridine is sourced from PubChem (CID 86277435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).