2-phenylsulfanylpyridine

C11H9NS — CID 817760

IUPAC2-phenylsulfanylpyridine
SMILESc1ccc(Sc2ccccn2)cc1
InChIInChI=1S/C11H9NS/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-9H
InChIKeyDWBYVHWWZMMIOT-UHFFFAOYSA-N
MW187.27 g/mol
LogP3.23
Rot. Bonds2

About 2-phenylsulfanylpyridine

2-phenylsulfanylpyridine (PubChem CID 817760) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-phenylsulfanylpyridine.

Molecular Properties

Compound Name2-phenylsulfanylpyridine
PubChem CID817760
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC Name2-phenylsulfanylpyridine
SMILESc1ccc(Sc2ccccn2)cc1
InChIInChI=1S/C11H9NS/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-9H
InChIKeyDWBYVHWWZMMIOT-UHFFFAOYSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylpyridine?
The IUPAC name of 2-phenylsulfanylpyridine (CID 817760) is 2-phenylsulfanylpyridine.
What is the SMILES notation for 2-phenylsulfanylpyridine?
The canonical SMILES for 2-phenylsulfanylpyridine is c1ccc(Sc2ccccn2)cc1.
What is the InChIKey of 2-phenylsulfanylpyridine?
The InChIKey is DWBYVHWWZMMIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-9H.
What are the key properties of 2-phenylsulfanylpyridine?
2-phenylsulfanylpyridine has a molecular weight of 187.27 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylpyridine is sourced from PubChem (CID 817760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).