1-(difluoromethyl)pyridine-4-thione

C6H5F2NS — CID 102106466

IUPAC1-(difluoromethyl)pyridine-4-thione
SMILESFC(F)n1ccc(=S)cc1
InChIInChI=1S/C6H5F2NS/c7-6(8)9-3-1-5(10)2-4-9/h1-4,6H
InChIKeyWUOVFTHKURSWSH-UHFFFAOYSA-N
MW161.18 g/mol
LogP2.61
Rot. Bonds1

About 1-(difluoromethyl)pyridine-4-thione

1-(difluoromethyl)pyridine-4-thione (PubChem CID 102106466) has the molecular formula C6H5F2NS and a molecular weight of 161.18 g/mol. Its IUPAC name is 1-(difluoromethyl)pyridine-4-thione.

Molecular Properties

Compound Name1-(difluoromethyl)pyridine-4-thione
PubChem CID102106466
Molecular FormulaC6H5F2NS
Molecular Weight161.18 g/mol
Exact Mass161.01
IUPAC Name1-(difluoromethyl)pyridine-4-thione
SMILESFC(F)n1ccc(=S)cc1
InChIInChI=1S/C6H5F2NS/c7-6(8)9-3-1-5(10)2-4-9/h1-4,6H
InChIKeyWUOVFTHKURSWSH-UHFFFAOYSA-N
XLogP2.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(difluoromethyl)pyridine-4-thione?
The IUPAC name of 1-(difluoromethyl)pyridine-4-thione (CID 102106466) is 1-(difluoromethyl)pyridine-4-thione.
What is the SMILES notation for 1-(difluoromethyl)pyridine-4-thione?
The canonical SMILES for 1-(difluoromethyl)pyridine-4-thione is FC(F)n1ccc(=S)cc1.
What is the InChIKey of 1-(difluoromethyl)pyridine-4-thione?
The InChIKey is WUOVFTHKURSWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NS/c7-6(8)9-3-1-5(10)2-4-9/h1-4,6H.
What are the key properties of 1-(difluoromethyl)pyridine-4-thione?
1-(difluoromethyl)pyridine-4-thione has a molecular weight of 161.18 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)pyridine-4-thione is sourced from PubChem (CID 102106466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).