5-(difluoromethyl)-1H-pyridine-2-thione

C6H5F2NS — CID 83854589

IUPAC5-(difluoromethyl)-1H-pyridine-2-thione
SMILESFC(F)c1ccc(=S)[nH]c1
InChIInChI=1S/C6H5F2NS/c7-6(8)4-1-2-5(10)9-3-4/h1-3,6H,(H,9,10)
InChIKeyGRVRZSOBVRBWGO-UHFFFAOYSA-N
MW161.18 g/mol
LogP2.68
Rot. Bonds1

About 5-(difluoromethyl)-1H-pyridine-2-thione

5-(difluoromethyl)-1H-pyridine-2-thione (PubChem CID 83854589) has the molecular formula C6H5F2NS and a molecular weight of 161.18 g/mol. Its IUPAC name is 5-(difluoromethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-(difluoromethyl)-1H-pyridine-2-thione
PubChem CID83854589
Molecular FormulaC6H5F2NS
Molecular Weight161.18 g/mol
Exact Mass161.01
IUPAC Name5-(difluoromethyl)-1H-pyridine-2-thione
SMILESFC(F)c1ccc(=S)[nH]c1
InChIInChI=1S/C6H5F2NS/c7-6(8)4-1-2-5(10)9-3-4/h1-3,6H,(H,9,10)
InChIKeyGRVRZSOBVRBWGO-UHFFFAOYSA-N
XLogP2.68
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 52.68
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-Bis(trifluoromethyl)-2-mercaptopyridine
CID 2745302
4-(Trifluoromethyl)pyridine-2-thiol
CID 15896766
3-Chloro-5-(trifluoromethyl)pyridine-2-thiol
CID 737460
3-(Trifluoromethyl)pyridine-2(1H)-thione
CID 2759526
2-Mercapto-4,5-dimethylpyridine
CID 20083038
5-(Trifluoromethyl)-1,2-dihydropyridine
CID 19363749
3-Amino-5-(trifluoromethyl)pyridine-2-thiol
CID 46315204
5-(fluoromethyl)-1H-pyridine-2-thione
CID 66660004
butane;5-(trifluoromethyl)-1H-pyridine-2-thione
CID 90948648
3-Fluoro-2-mercapto-4-(trifluoromethyl)pyridine
CID 90975732

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1H-pyridine-2-thione?
The IUPAC name of 5-(difluoromethyl)-1H-pyridine-2-thione (CID 83854589) is 5-(difluoromethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 5-(difluoromethyl)-1H-pyridine-2-thione?
The canonical SMILES for 5-(difluoromethyl)-1H-pyridine-2-thione is FC(F)c1ccc(=S)[nH]c1.
What is the InChIKey of 5-(difluoromethyl)-1H-pyridine-2-thione?
The InChIKey is GRVRZSOBVRBWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NS/c7-6(8)4-1-2-5(10)9-3-4/h1-3,6H,(H,9,10).
What are the key properties of 5-(difluoromethyl)-1H-pyridine-2-thione?
5-(difluoromethyl)-1H-pyridine-2-thione has a molecular weight of 161.18 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 83854589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).