5-propan-2-yl-1H-pyridine-2-thione

C8H11NS — CID 18779006

IUPAC5-propan-2-yl-1H-pyridine-2-thione
SMILESCC(C)c1ccc(=S)[nH]c1
InChIInChI=1S/C8H11NS/c1-6(2)7-3-4-8(10)9-5-7/h3-6H,1-2H3,(H,9,10)
InChIKeyWJGKONQJLIXNHZ-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.87
Rot. Bonds1

About 5-propan-2-yl-1H-pyridine-2-thione

5-propan-2-yl-1H-pyridine-2-thione (PubChem CID 18779006) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 5-propan-2-yl-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-propan-2-yl-1H-pyridine-2-thione
PubChem CID18779006
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name5-propan-2-yl-1H-pyridine-2-thione
SMILESCC(C)c1ccc(=S)[nH]c1
InChIInChI=1S/C8H11NS/c1-6(2)7-3-4-8(10)9-5-7/h3-6H,1-2H3,(H,9,10)
InChIKeyWJGKONQJLIXNHZ-UHFFFAOYSA-N
XLogP2.87
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1H-pyridine-2-thione?
The IUPAC name of 5-propan-2-yl-1H-pyridine-2-thione (CID 18779006) is 5-propan-2-yl-1H-pyridine-2-thione.
What is the SMILES notation for 5-propan-2-yl-1H-pyridine-2-thione?
The canonical SMILES for 5-propan-2-yl-1H-pyridine-2-thione is CC(C)c1ccc(=S)[nH]c1.
What is the InChIKey of 5-propan-2-yl-1H-pyridine-2-thione?
The InChIKey is WJGKONQJLIXNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-6(2)7-3-4-8(10)9-5-7/h3-6H,1-2H3,(H,9,10).
What are the key properties of 5-propan-2-yl-1H-pyridine-2-thione?
5-propan-2-yl-1H-pyridine-2-thione has a molecular weight of 153.25 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1H-pyridine-2-thione is sourced from PubChem (CID 18779006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).