5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione

C7H8FNS — CID 138700753

IUPAC5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione
SMILESCc1cc(=S)[nH]cc1CF
InChIInChI=1S/C7H8FNS/c1-5-2-7(10)9-4-6(5)3-8/h2,4H,3H2,1H3,(H,9,10)
InChIKeyRZJAHLIXLSJPDS-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.52
Rot. Bonds1

About 5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione

5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione (PubChem CID 138700753) has the molecular formula C7H8FNS and a molecular weight of 157.21 g/mol. Its IUPAC name is 5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione
PubChem CID138700753
Molecular FormulaC7H8FNS
Molecular Weight157.21 g/mol
Exact Mass157.04
IUPAC Name5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione
SMILESCc1cc(=S)[nH]cc1CF
InChIInChI=1S/C7H8FNS/c1-5-2-7(10)9-4-6(5)3-8/h2,4H,3H2,1H3,(H,9,10)
InChIKeyRZJAHLIXLSJPDS-UHFFFAOYSA-N
XLogP2.52
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.52
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-(fluoromethyl)-4-methyl-1H-pyridine-2-thione?
The IUPAC name of 5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione (CID 138700753) is 5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione.
What is the SMILES notation for 5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione?
The canonical SMILES for 5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione is Cc1cc(=S)[nH]cc1CF.
What is the InChIKey of 5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione?
The InChIKey is RZJAHLIXLSJPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNS/c1-5-2-7(10)9-4-6(5)3-8/h2,4H,3H2,1H3,(H,9,10).
What are the key properties of 5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione?
5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione has a molecular weight of 157.21 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione is sourced from PubChem (CID 138700753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).