2-naphthalen-1-ylsulfanylpyridine

C15H11NS — CID 19887252

IUPAC2-naphthalen-1-ylsulfanylpyridine
SMILESc1ccc(Sc2cccc3ccccc23)nc1
InChIInChI=1S/C15H11NS/c1-2-8-13-12(6-1)7-5-9-14(13)17-15-10-3-4-11-16-15/h1-11H
InChIKeyIMIOELGJLIFWHS-UHFFFAOYSA-N
MW237.33 g/mol
LogP4.39
Rot. Bonds2

About 2-naphthalen-1-ylsulfanylpyridine

2-naphthalen-1-ylsulfanylpyridine (PubChem CID 19887252) has the molecular formula C15H11NS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-naphthalen-1-ylsulfanylpyridine.

Molecular Properties

Compound Name2-naphthalen-1-ylsulfanylpyridine
PubChem CID19887252
Molecular FormulaC15H11NS
Molecular Weight237.33 g/mol
Exact Mass237.06
IUPAC Name2-naphthalen-1-ylsulfanylpyridine
SMILESc1ccc(Sc2cccc3ccccc23)nc1
InChIInChI=1S/C15H11NS/c1-2-8-13-12(6-1)7-5-9-14(13)17-15-10-3-4-11-16-15/h1-11H
InChIKeyIMIOELGJLIFWHS-UHFFFAOYSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylsulfanylpyridine?
The IUPAC name of 2-naphthalen-1-ylsulfanylpyridine (CID 19887252) is 2-naphthalen-1-ylsulfanylpyridine.
What is the SMILES notation for 2-naphthalen-1-ylsulfanylpyridine?
The canonical SMILES for 2-naphthalen-1-ylsulfanylpyridine is c1ccc(Sc2cccc3ccccc23)nc1.
What is the InChIKey of 2-naphthalen-1-ylsulfanylpyridine?
The InChIKey is IMIOELGJLIFWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NS/c1-2-8-13-12(6-1)7-5-9-14(13)17-15-10-3-4-11-16-15/h1-11H.
What are the key properties of 2-naphthalen-1-ylsulfanylpyridine?
2-naphthalen-1-ylsulfanylpyridine has a molecular weight of 237.33 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylsulfanylpyridine is sourced from PubChem (CID 19887252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).