2-(4-benzylsulfanylphenyl)pyridine

C18H15NS — CID 56682064

IUPAC2-(4-benzylsulfanylphenyl)pyridine
SMILESc1ccc(CSc2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C18H15NS/c1-2-6-15(7-3-1)14-20-17-11-9-16(10-12-17)18-8-4-5-13-19-18/h1-13H,14H2
InChIKeyXRUCKLXFALUFLY-UHFFFAOYSA-N
MW277.39 g/mol
LogP5.04
Rot. Bonds4

About 2-(4-benzylsulfanylphenyl)pyridine

2-(4-benzylsulfanylphenyl)pyridine (PubChem CID 56682064) has the molecular formula C18H15NS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(4-benzylsulfanylphenyl)pyridine.

Molecular Properties

Compound Name2-(4-benzylsulfanylphenyl)pyridine
PubChem CID56682064
Molecular FormulaC18H15NS
Molecular Weight277.39 g/mol
Exact Mass277.09
IUPAC Name2-(4-benzylsulfanylphenyl)pyridine
SMILESc1ccc(CSc2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C18H15NS/c1-2-6-15(7-3-1)14-20-17-11-9-16(10-12-17)18-8-4-5-13-19-18/h1-13H,14H2
InChIKeyXRUCKLXFALUFLY-UHFFFAOYSA-N
XLogP5.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.39
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylsulfanylphenyl)pyridine?
The IUPAC name of 2-(4-benzylsulfanylphenyl)pyridine (CID 56682064) is 2-(4-benzylsulfanylphenyl)pyridine.
What is the SMILES notation for 2-(4-benzylsulfanylphenyl)pyridine?
The canonical SMILES for 2-(4-benzylsulfanylphenyl)pyridine is c1ccc(CSc2ccc(-c3ccccn3)cc2)cc1.
What is the InChIKey of 2-(4-benzylsulfanylphenyl)pyridine?
The InChIKey is XRUCKLXFALUFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NS/c1-2-6-15(7-3-1)14-20-17-11-9-16(10-12-17)18-8-4-5-13-19-18/h1-13H,14H2.
What are the key properties of 2-(4-benzylsulfanylphenyl)pyridine?
2-(4-benzylsulfanylphenyl)pyridine has a molecular weight of 277.39 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylsulfanylphenyl)pyridine is sourced from PubChem (CID 56682064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).