2-(2-phenylsulfanylethyl)pyridine

C13H13NS — CID 778824

IUPAC2-(2-phenylsulfanylethyl)pyridine
SMILESc1ccc(SCCc2ccccn2)cc1
InChIInChI=1S/C13H13NS/c1-2-7-13(8-3-1)15-11-9-12-6-4-5-10-14-12/h1-8,10H,9,11H2
InChIKeyVWKCUVQFZMDHBH-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.42
Rot. Bonds4

About 2-(2-phenylsulfanylethyl)pyridine

2-(2-phenylsulfanylethyl)pyridine (PubChem CID 778824) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-(2-phenylsulfanylethyl)pyridine.

Molecular Properties

Compound Name2-(2-phenylsulfanylethyl)pyridine
PubChem CID778824
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name2-(2-phenylsulfanylethyl)pyridine
SMILESc1ccc(SCCc2ccccn2)cc1
InChIInChI=1S/C13H13NS/c1-2-7-13(8-3-1)15-11-9-12-6-4-5-10-14-12/h1-8,10H,9,11H2
InChIKeyVWKCUVQFZMDHBH-UHFFFAOYSA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylethyl)pyridine?
The IUPAC name of 2-(2-phenylsulfanylethyl)pyridine (CID 778824) is 2-(2-phenylsulfanylethyl)pyridine.
What is the SMILES notation for 2-(2-phenylsulfanylethyl)pyridine?
The canonical SMILES for 2-(2-phenylsulfanylethyl)pyridine is c1ccc(SCCc2ccccn2)cc1.
What is the InChIKey of 2-(2-phenylsulfanylethyl)pyridine?
The InChIKey is VWKCUVQFZMDHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c1-2-7-13(8-3-1)15-11-9-12-6-4-5-10-14-12/h1-8,10H,9,11H2.
What are the key properties of 2-(2-phenylsulfanylethyl)pyridine?
2-(2-phenylsulfanylethyl)pyridine has a molecular weight of 215.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylethyl)pyridine is sourced from PubChem (CID 778824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).