1-propan-2-ylpyridine-4-thione

C8H11NS — CID 14302457

IUPAC1-propan-2-ylpyridine-4-thione
SMILESCC(C)n1ccc(=S)cc1
InChIInChI=1S/C8H11NS/c1-7(2)9-5-3-8(10)4-6-9/h3-7H,1-2H3
InChIKeyNOZFKKVPOVNMFA-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.80
Rot. Bonds1

About 1-propan-2-ylpyridine-4-thione

1-propan-2-ylpyridine-4-thione (PubChem CID 14302457) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 1-propan-2-ylpyridine-4-thione.

Molecular Properties

Compound Name1-propan-2-ylpyridine-4-thione
PubChem CID14302457
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name1-propan-2-ylpyridine-4-thione
SMILESCC(C)n1ccc(=S)cc1
InChIInChI=1S/C8H11NS/c1-7(2)9-5-3-8(10)4-6-9/h3-7H,1-2H3
InChIKeyNOZFKKVPOVNMFA-UHFFFAOYSA-N
XLogP2.80
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-propan-2-ylpyridine-4-thione?
The IUPAC name of 1-propan-2-ylpyridine-4-thione (CID 14302457) is 1-propan-2-ylpyridine-4-thione.
What is the SMILES notation for 1-propan-2-ylpyridine-4-thione?
The canonical SMILES for 1-propan-2-ylpyridine-4-thione is CC(C)n1ccc(=S)cc1.
What is the InChIKey of 1-propan-2-ylpyridine-4-thione?
The InChIKey is NOZFKKVPOVNMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-7(2)9-5-3-8(10)4-6-9/h3-7H,1-2H3.
What are the key properties of 1-propan-2-ylpyridine-4-thione?
1-propan-2-ylpyridine-4-thione has a molecular weight of 153.25 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyridine-4-thione is sourced from PubChem (CID 14302457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).