5-propyl-1H-pyridine-2-thione

C8H11NS — CID 142914226

IUPAC5-propyl-1H-pyridine-2-thione
SMILESCCCc1ccc(=S)[nH]c1
InChIInChI=1S/C8H11NS/c1-2-3-7-4-5-8(10)9-6-7/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyXWUJICZRYAFFSA-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.70
Rot. Bonds2

About 5-propyl-1H-pyridine-2-thione

5-propyl-1H-pyridine-2-thione (PubChem CID 142914226) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 5-propyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-propyl-1H-pyridine-2-thione
PubChem CID142914226
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name5-propyl-1H-pyridine-2-thione
SMILESCCCc1ccc(=S)[nH]c1
InChIInChI=1S/C8H11NS/c1-2-3-7-4-5-8(10)9-6-7/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyXWUJICZRYAFFSA-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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Related Compounds

4-Methyl-2(1H)-pyridinethione
CID 3681029
5-Methylpyridine-2(1H)-thione
CID 4297321
3,5-Dimethyl-1,2-dihydropyridine-2-thione
CID 18731626
Isoquinoline-3(2H)-thione
CID 14382479
2-Mercapto-4,5-dimethylpyridine
CID 20083038
3-Allyl-2-pyridinethiol
CID 67377238
3-Thioxo-2,3,5,6,7,8-hexahydroisoquinoline
CID 122497482
5-(fluoromethyl)-1H-pyridine-2-thione
CID 66660004
butane;5-(trifluoromethyl)-1H-pyridine-2-thione
CID 90948648
5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione
CID 138700753
ethane;5-(trifluoromethyl)-1H-pyridine-2-thione
CID 144623975
3-fluoro-5-propan-2-yl-1H-pyridine-2-thione
CID 176933522

Frequently Asked Questions

What is the IUPAC name of 5-propyl-1H-pyridine-2-thione?
The IUPAC name of 5-propyl-1H-pyridine-2-thione (CID 142914226) is 5-propyl-1H-pyridine-2-thione.
What is the SMILES notation for 5-propyl-1H-pyridine-2-thione?
The canonical SMILES for 5-propyl-1H-pyridine-2-thione is CCCc1ccc(=S)[nH]c1.
What is the InChIKey of 5-propyl-1H-pyridine-2-thione?
The InChIKey is XWUJICZRYAFFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-3-7-4-5-8(10)9-6-7/h4-6H,2-3H2,1H3,(H,9,10).
What are the key properties of 5-propyl-1H-pyridine-2-thione?
5-propyl-1H-pyridine-2-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 5-propyl-1H-pyridine-2-thione is sourced from PubChem (CID 142914226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).