3-(4-propan-2-ylphenyl)-1H-pyridine-2-thione

C14H15NS — CID 143262520

IUPAC3-(4-propan-2-ylphenyl)-1H-pyridine-2-thione
SMILESCC(C)c1ccc(-c2ccc[nH]c2=S)cc1
InChIInChI=1S/C14H15NS/c1-10(2)11-5-7-12(8-6-11)13-4-3-9-15-14(13)16/h3-10H,1-2H3,(H,15,16)
InChIKeyXPLOPNMBYJLFPE-UHFFFAOYSA-N
MW229.35 g/mol
LogP4.53
Rot. Bonds2

About 3-(4-propan-2-ylphenyl)-1H-pyridine-2-thione

3-(4-propan-2-ylphenyl)-1H-pyridine-2-thione (PubChem CID 143262520) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)-1H-pyridine-2-thione
PubChem CID143262520
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name3-(4-propan-2-ylphenyl)-1H-pyridine-2-thione
SMILESCC(C)c1ccc(-c2ccc[nH]c2=S)cc1
InChIInChI=1S/C14H15NS/c1-10(2)11-5-7-12(8-6-11)13-4-3-9-15-14(13)16/h3-10H,1-2H3,(H,15,16)
InChIKeyXPLOPNMBYJLFPE-UHFFFAOYSA-N
XLogP4.53
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.53
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

1-tert-butyl-2-(4-propan-2-ylphenyl)benzene
CID 58258601
[2-(4-propan-2-ylphenyl)phenyl]methanol
CID 69041702
3-[hydroxy-(4-methylphenyl)methyl]-1H-pyridine-2-thione
CID 3792912
2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
CID 121300355
9,20-bis(4-propan-2-ylphenyl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 59805370
2-chloro-3-(4-propan-2-ylphenyl)pyridine
CID 82082322
1-(4-fluorophenyl)-5-propan-2-ylazulene
CID 19815703
3-chloro-1H-pyridine-2-thione
CID 13476973
phenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium
CID 175903400
1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene
CID 144815808
2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene
CID 22103899
3-(4-propan-2-ylphenyl)-1H-pyrrole
CID 12665453

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)-1H-pyridine-2-thione?
The IUPAC name of 3-(4-propan-2-ylphenyl)-1H-pyridine-2-thione (CID 143262520) is 3-(4-propan-2-ylphenyl)-1H-pyridine-2-thione.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)-1H-pyridine-2-thione?
The canonical SMILES for 3-(4-propan-2-ylphenyl)-1H-pyridine-2-thione is CC(C)c1ccc(-c2ccc[nH]c2=S)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)-1H-pyridine-2-thione?
The InChIKey is XPLOPNMBYJLFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-10(2)11-5-7-12(8-6-11)13-4-3-9-15-14(13)16/h3-10H,1-2H3,(H,15,16).
What are the key properties of 3-(4-propan-2-ylphenyl)-1H-pyridine-2-thione?
3-(4-propan-2-ylphenyl)-1H-pyridine-2-thione has a molecular weight of 229.35 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)-1H-pyridine-2-thione is sourced from PubChem (CID 143262520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).