2-propyl-1H-pyridine-4-thione

C8H11NS — CID 22592232

IUPAC2-propyl-1H-pyridine-4-thione
SMILESCCCc1cc(=S)cc[nH]1
InChIInChI=1S/C8H11NS/c1-2-3-7-6-8(10)4-5-9-7/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyZXTOZCVLXNQMKE-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.70
Rot. Bonds2

About 2-propyl-1H-pyridine-4-thione

2-propyl-1H-pyridine-4-thione (PubChem CID 22592232) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 2-propyl-1H-pyridine-4-thione.

Molecular Properties

Compound Name2-propyl-1H-pyridine-4-thione
PubChem CID22592232
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name2-propyl-1H-pyridine-4-thione
SMILESCCCc1cc(=S)cc[nH]1
InChIInChI=1S/C8H11NS/c1-2-3-7-6-8(10)4-5-9-7/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyZXTOZCVLXNQMKE-UHFFFAOYSA-N
XLogP2.70
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.70
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 2-propyl-1H-pyridine-4-thione?
The IUPAC name of 2-propyl-1H-pyridine-4-thione (CID 22592232) is 2-propyl-1H-pyridine-4-thione.
What is the SMILES notation for 2-propyl-1H-pyridine-4-thione?
The canonical SMILES for 2-propyl-1H-pyridine-4-thione is CCCc1cc(=S)cc[nH]1.
What is the InChIKey of 2-propyl-1H-pyridine-4-thione?
The InChIKey is ZXTOZCVLXNQMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-3-7-6-8(10)4-5-9-7/h4-6H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-propyl-1H-pyridine-4-thione?
2-propyl-1H-pyridine-4-thione has a molecular weight of 153.25 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1H-pyridine-4-thione is sourced from PubChem (CID 22592232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).