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

C7H6FNS — CID 74891727

IUPAC5-ethenyl-3-fluoro-1H-pyridine-2-thione
SMILESC=Cc1c[nH]c(=S)c(F)c1
InChIInChI=1S/C7H6FNS/c1-2-5-3-6(8)7(10)9-4-5/h2-4H,1H2,(H,9,10)
InChIKeyDDKWIDZMYNWSPW-UHFFFAOYSA-N
MW155.20 g/mol
LogP2.53
Rot. Bonds1

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

5-ethenyl-3-fluoro-1H-pyridine-2-thione (PubChem CID 74891727) has the molecular formula C7H6FNS and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-ethenyl-3-fluoro-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-ethenyl-3-fluoro-1H-pyridine-2-thione
PubChem CID74891727
Molecular FormulaC7H6FNS
Molecular Weight155.20 g/mol
Exact Mass155.02
IUPAC Name5-ethenyl-3-fluoro-1H-pyridine-2-thione
SMILESC=Cc1c[nH]c(=S)c(F)c1
InChIInChI=1S/C7H6FNS/c1-2-5-3-6(8)7(10)9-4-5/h2-4H,1H2,(H,9,10)
InChIKeyDDKWIDZMYNWSPW-UHFFFAOYSA-N
XLogP2.53
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 52.53
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
2(1H)-Pyridinethione, 5-(trifluoromethyl)-
CID 2775246
5-Methylpyridine-2(1H)-thione
CID 4297321
3,5-Bis(trifluoromethyl)-2-mercaptopyridine
CID 2745302
4-(Trifluoromethyl)pyridine-2-thiol
CID 15896766
3,5-Dimethyl-1,2-dihydropyridine-2-thione
CID 18731626
Isoquinoline-3(2H)-thione
CID 14382479
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
3-(fluoromethyl)-1H-pyridine-2-thione
CID 66660143
5-(difluoromethyl)-1H-pyridine-2-thione
CID 83854589

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-fluoro-1H-pyridine-2-thione?
The IUPAC name of 5-ethenyl-3-fluoro-1H-pyridine-2-thione (CID 74891727) is 5-ethenyl-3-fluoro-1H-pyridine-2-thione.
What is the SMILES notation for 5-ethenyl-3-fluoro-1H-pyridine-2-thione?
The canonical SMILES for 5-ethenyl-3-fluoro-1H-pyridine-2-thione is C=Cc1c[nH]c(=S)c(F)c1.
What is the InChIKey of 5-ethenyl-3-fluoro-1H-pyridine-2-thione?
The InChIKey is DDKWIDZMYNWSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNS/c1-2-5-3-6(8)7(10)9-4-5/h2-4H,1H2,(H,9,10).
What are the key properties of 5-ethenyl-3-fluoro-1H-pyridine-2-thione?
5-ethenyl-3-fluoro-1H-pyridine-2-thione has a molecular weight of 155.20 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-fluoro-1H-pyridine-2-thione is sourced from PubChem (CID 74891727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).