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

C6H4F3NS — CID 2775246

IUPAC5-(trifluoromethyl)-1H-pyridine-2-thione
SMILESFC(F)(F)c1ccc(=S)[nH]c1
InChIInChI=1S/C6H4F3NS/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)
InChIKeyYFSCXLSUZZXNHW-UHFFFAOYSA-N
MW179.17 g/mol
LogP2.76
Rot. Bonds

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

5-(trifluoromethyl)-1H-pyridine-2-thione (PubChem CID 2775246) has the molecular formula C6H4F3NS and a molecular weight of 179.17 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-pyridine-2-thione
PubChem CID2775246
Molecular FormulaC6H4F3NS
Molecular Weight179.17 g/mol
Exact Mass179.00
IUPAC Name5-(trifluoromethyl)-1H-pyridine-2-thione
SMILESFC(F)(F)c1ccc(=S)[nH]c1
InChIInChI=1S/C6H4F3NS/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)
InChIKeyYFSCXLSUZZXNHW-UHFFFAOYSA-N
XLogP2.76
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-(trifluoromethyl)-1H-pyridine-2-thione?
The IUPAC name of 5-(trifluoromethyl)-1H-pyridine-2-thione (CID 2775246) is 5-(trifluoromethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 5-(trifluoromethyl)-1H-pyridine-2-thione?
The canonical SMILES for 5-(trifluoromethyl)-1H-pyridine-2-thione is FC(F)(F)c1ccc(=S)[nH]c1.
What is the InChIKey of 5-(trifluoromethyl)-1H-pyridine-2-thione?
The InChIKey is YFSCXLSUZZXNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NS/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11).
What are the key properties of 5-(trifluoromethyl)-1H-pyridine-2-thione?
5-(trifluoromethyl)-1H-pyridine-2-thione has a molecular weight of 179.17 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 2775246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).