5-ethyl-3-fluoro-1H-pyridine-2-thione

C7H8FNS — CID 176935089

IUPAC5-ethyl-3-fluoro-1H-pyridine-2-thione
SMILESCCc1c[nH]c(=S)c(F)c1
InChIInChI=1S/C7H8FNS/c1-2-5-3-6(8)7(10)9-4-5/h3-4H,2H2,1H3,(H,9,10)
InChIKeyJDJFNYPJAHHXAL-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.45
Rot. Bonds1

About 5-ethyl-3-fluoro-1H-pyridine-2-thione

5-ethyl-3-fluoro-1H-pyridine-2-thione (PubChem CID 176935089) has the molecular formula C7H8FNS and a molecular weight of 157.21 g/mol. Its IUPAC name is 5-ethyl-3-fluoro-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-ethyl-3-fluoro-1H-pyridine-2-thione
PubChem CID176935089
Molecular FormulaC7H8FNS
Molecular Weight157.21 g/mol
Exact Mass157.04
IUPAC Name5-ethyl-3-fluoro-1H-pyridine-2-thione
SMILESCCc1c[nH]c(=S)c(F)c1
InChIInChI=1S/C7H8FNS/c1-2-5-3-6(8)7(10)9-4-5/h3-4H,2H2,1H3,(H,9,10)
InChIKeyJDJFNYPJAHHXAL-UHFFFAOYSA-N
XLogP2.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.45
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

2(1H)-Pyridinethione, 5-(trifluoromethyl)-
CID 2775246
5-Methylpyridine-2(1H)-thione
CID 4297321
3,5-Dimethyl-1,2-dihydropyridine-2-thione
CID 18731626
2-Mercapto-4,5-dimethylpyridine
CID 20083038
3-chloro-5-(fluoromethyl)-1H-pyridine-2-thione
CID 66659924
5-(fluoromethyl)-1H-pyridine-2-thione
CID 66660004
5-(difluoromethyl)-1H-pyridine-2-thione
CID 83854589
butane;5-(trifluoromethyl)-1H-pyridine-2-thione
CID 90948648
3-Methyl-5-(trifluoromethyl)pyridine-2-thiol
CID 97033267
3-Fluoro-2-mercapto-5-(trifluoromethyl)pyridine
CID 118703925
5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione
CID 138700753
3-fluoro-4-methyl-1H-pyridine-2-thione
CID 138715374

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-fluoro-1H-pyridine-2-thione?
The IUPAC name of 5-ethyl-3-fluoro-1H-pyridine-2-thione (CID 176935089) is 5-ethyl-3-fluoro-1H-pyridine-2-thione.
What is the SMILES notation for 5-ethyl-3-fluoro-1H-pyridine-2-thione?
The canonical SMILES for 5-ethyl-3-fluoro-1H-pyridine-2-thione is CCc1c[nH]c(=S)c(F)c1.
What is the InChIKey of 5-ethyl-3-fluoro-1H-pyridine-2-thione?
The InChIKey is JDJFNYPJAHHXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNS/c1-2-5-3-6(8)7(10)9-4-5/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 5-ethyl-3-fluoro-1H-pyridine-2-thione?
5-ethyl-3-fluoro-1H-pyridine-2-thione has a molecular weight of 157.21 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-fluoro-1H-pyridine-2-thione is sourced from PubChem (CID 176935089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).