3-phenylsulfanylpyridine

C11H9NS — CID 3813610

IUPAC3-phenylsulfanylpyridine
SMILESc1ccc(Sc2cccnc2)cc1
InChIInChI=1S/C11H9NS/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h1-9H
InChIKeyONBQLBVFTYYJJR-UHFFFAOYSA-N
MW187.27 g/mol
LogP3.23
Rot. Bonds2

About 3-phenylsulfanylpyridine

3-phenylsulfanylpyridine (PubChem CID 3813610) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is 3-phenylsulfanylpyridine.

Molecular Properties

Compound Name3-phenylsulfanylpyridine
PubChem CID3813610
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC Name3-phenylsulfanylpyridine
SMILESc1ccc(Sc2cccnc2)cc1
InChIInChI=1S/C11H9NS/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h1-9H
InChIKeyONBQLBVFTYYJJR-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 3-phenylsulfanylpyridine?
The IUPAC name of 3-phenylsulfanylpyridine (CID 3813610) is 3-phenylsulfanylpyridine.
What is the SMILES notation for 3-phenylsulfanylpyridine?
The canonical SMILES for 3-phenylsulfanylpyridine is c1ccc(Sc2cccnc2)cc1.
What is the InChIKey of 3-phenylsulfanylpyridine?
The InChIKey is ONBQLBVFTYYJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h1-9H.
What are the key properties of 3-phenylsulfanylpyridine?
3-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 3-phenylsulfanylpyridine is sourced from PubChem (CID 3813610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).