3-(fluoromethyl)-1H-pyridine-2-thione

C6H6FNS — CID 66660143

IUPAC3-(fluoromethyl)-1H-pyridine-2-thione
SMILESFCc1ccc[nH]c1=S
InChIInChI=1S/C6H6FNS/c7-4-5-2-1-3-8-6(5)9/h1-3H,4H2,(H,8,9)
InChIKeyHIFMEAWHVYIFAB-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.21
Rot. Bonds1

About 3-(fluoromethyl)-1H-pyridine-2-thione

3-(fluoromethyl)-1H-pyridine-2-thione (PubChem CID 66660143) has the molecular formula C6H6FNS and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-(fluoromethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-(fluoromethyl)-1H-pyridine-2-thione
PubChem CID66660143
Molecular FormulaC6H6FNS
Molecular Weight143.19 g/mol
Exact Mass143.02
IUPAC Name3-(fluoromethyl)-1H-pyridine-2-thione
SMILESFCc1ccc[nH]c1=S
InChIInChI=1S/C6H6FNS/c7-4-5-2-1-3-8-6(5)9/h1-3H,4H2,(H,8,9)
InChIKeyHIFMEAWHVYIFAB-UHFFFAOYSA-N
XLogP2.21
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.21
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 3-(fluoromethyl)-1H-pyridine-2-thione?
The IUPAC name of 3-(fluoromethyl)-1H-pyridine-2-thione (CID 66660143) is 3-(fluoromethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 3-(fluoromethyl)-1H-pyridine-2-thione?
The canonical SMILES for 3-(fluoromethyl)-1H-pyridine-2-thione is FCc1ccc[nH]c1=S.
What is the InChIKey of 3-(fluoromethyl)-1H-pyridine-2-thione?
The InChIKey is HIFMEAWHVYIFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNS/c7-4-5-2-1-3-8-6(5)9/h1-3H,4H2,(H,8,9).
What are the key properties of 3-(fluoromethyl)-1H-pyridine-2-thione?
3-(fluoromethyl)-1H-pyridine-2-thione has a molecular weight of 143.19 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 66660143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).