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

C6H4F3NOS — CID 119083472

IUPAC5-(trifluoromethoxy)-1H-pyridine-2-thione
SMILESFC(F)(F)Oc1ccc(=S)[nH]c1
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)11-4-1-2-5(12)10-3-4/h1-3H,(H,10,12)
InChIKeyQRBGZDVISQPLDZ-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.64
Rot. Bonds1

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

5-(trifluoromethoxy)-1H-pyridine-2-thione (PubChem CID 119083472) has the molecular formula C6H4F3NOS and a molecular weight of 195.17 g/mol. Its IUPAC name is 5-(trifluoromethoxy)-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-(trifluoromethoxy)-1H-pyridine-2-thione
PubChem CID119083472
Molecular FormulaC6H4F3NOS
Molecular Weight195.17 g/mol
Exact Mass195.00
IUPAC Name5-(trifluoromethoxy)-1H-pyridine-2-thione
SMILESFC(F)(F)Oc1ccc(=S)[nH]c1
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)11-4-1-2-5(12)10-3-4/h1-3H,(H,10,12)
InChIKeyQRBGZDVISQPLDZ-UHFFFAOYSA-N
XLogP2.64
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 52.64
H-Bond Donors ≤ 51
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 5-(trifluoromethoxy)-1H-pyridine-2-thione?
The IUPAC name of 5-(trifluoromethoxy)-1H-pyridine-2-thione (CID 119083472) is 5-(trifluoromethoxy)-1H-pyridine-2-thione.
What is the SMILES notation for 5-(trifluoromethoxy)-1H-pyridine-2-thione?
The canonical SMILES for 5-(trifluoromethoxy)-1H-pyridine-2-thione is FC(F)(F)Oc1ccc(=S)[nH]c1.
What is the InChIKey of 5-(trifluoromethoxy)-1H-pyridine-2-thione?
The InChIKey is QRBGZDVISQPLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c7-6(8,9)11-4-1-2-5(12)10-3-4/h1-3H,(H,10,12).
What are the key properties of 5-(trifluoromethoxy)-1H-pyridine-2-thione?
5-(trifluoromethoxy)-1H-pyridine-2-thione has a molecular weight of 195.17 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)-1H-pyridine-2-thione is sourced from PubChem (CID 119083472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).