6-(4-cyclobutylphenyl)-1H-pyridine-2-thione

C15H15NS — CID 106521765

IUPAC6-(4-cyclobutylphenyl)-1H-pyridine-2-thione
SMILESS=c1cccc(-c2ccc(C3CCC3)cc2)[nH]1
InChIInChI=1S/C15H15NS/c17-15-6-2-5-14(16-15)13-9-7-12(8-10-13)11-3-1-4-11/h2,5-11H,1,3-4H2,(H,16,17)
InChIKeyZUOVNOLRGPMFFO-UHFFFAOYSA-N
MW241.36 g/mol
LogP4.68
Rot. Bonds2

About 6-(4-cyclobutylphenyl)-1H-pyridine-2-thione

6-(4-cyclobutylphenyl)-1H-pyridine-2-thione (PubChem CID 106521765) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is 6-(4-cyclobutylphenyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-(4-cyclobutylphenyl)-1H-pyridine-2-thione
PubChem CID106521765
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC Name6-(4-cyclobutylphenyl)-1H-pyridine-2-thione
SMILESS=c1cccc(-c2ccc(C3CCC3)cc2)[nH]1
InChIInChI=1S/C15H15NS/c17-15-6-2-5-14(16-15)13-9-7-12(8-10-13)11-3-1-4-11/h2,5-11H,1,3-4H2,(H,16,17)
InChIKeyZUOVNOLRGPMFFO-UHFFFAOYSA-N
XLogP4.68
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-(4-cyclobutylphenyl)-1H-pyridin-2-one
CID 106521742
6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione
CID 106521767
5-(4-cyclobutylphenyl)-1H-pyrazine-2-thione
CID 112754923
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine
CID 116506684
6-(4-cyclobutylphenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106521756
6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione
CID 95473920
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
4-[4-(4-cyclohexylphenyl)phenyl]cyclohexan-1-amine
CID 139515276
1-cyclobutyl-4-iodobenzene
CID 155973384
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclobutylphenyl)-1H-pyridine-2-thione?
The IUPAC name of 6-(4-cyclobutylphenyl)-1H-pyridine-2-thione (CID 106521765) is 6-(4-cyclobutylphenyl)-1H-pyridine-2-thione.
What is the SMILES notation for 6-(4-cyclobutylphenyl)-1H-pyridine-2-thione?
The canonical SMILES for 6-(4-cyclobutylphenyl)-1H-pyridine-2-thione is S=c1cccc(-c2ccc(C3CCC3)cc2)[nH]1.
What is the InChIKey of 6-(4-cyclobutylphenyl)-1H-pyridine-2-thione?
The InChIKey is ZUOVNOLRGPMFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS/c17-15-6-2-5-14(16-15)13-9-7-12(8-10-13)11-3-1-4-11/h2,5-11H,1,3-4H2,(H,16,17).
What are the key properties of 6-(4-cyclobutylphenyl)-1H-pyridine-2-thione?
6-(4-cyclobutylphenyl)-1H-pyridine-2-thione has a molecular weight of 241.36 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclobutylphenyl)-1H-pyridine-2-thione is sourced from PubChem (CID 106521765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).