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

C7H6F3NS — CID 3106369

IUPAC1-methyl-5-(trifluoromethyl)pyridine-2-thione
SMILESCn1cc(C(F)(F)F)ccc1=S
InChIInChI=1S/C7H6F3NS/c1-11-4-5(7(8,9)10)2-3-6(11)12/h2-4H,1H3
InChIKeyLVPVTZUMWSHLJN-UHFFFAOYSA-N
MW193.19 g/mol
LogP2.77
Rot. Bonds

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

1-methyl-5-(trifluoromethyl)pyridine-2-thione (PubChem CID 3106369) has the molecular formula C7H6F3NS and a molecular weight of 193.19 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)pyridine-2-thione.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)pyridine-2-thione
PubChem CID3106369
Molecular FormulaC7H6F3NS
Molecular Weight193.19 g/mol
Exact Mass193.02
IUPAC Name1-methyl-5-(trifluoromethyl)pyridine-2-thione
SMILESCn1cc(C(F)(F)F)ccc1=S
InChIInChI=1S/C7H6F3NS/c1-11-4-5(7(8,9)10)2-3-6(11)12/h2-4H,1H3
InChIKeyLVPVTZUMWSHLJN-UHFFFAOYSA-N
XLogP2.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 52.77
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-methyl-5-(trifluoromethyl)pyridine-2-thione?
The IUPAC name of 1-methyl-5-(trifluoromethyl)pyridine-2-thione (CID 3106369) is 1-methyl-5-(trifluoromethyl)pyridine-2-thione.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)pyridine-2-thione?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)pyridine-2-thione is Cn1cc(C(F)(F)F)ccc1=S.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)pyridine-2-thione?
The InChIKey is LVPVTZUMWSHLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NS/c1-11-4-5(7(8,9)10)2-3-6(11)12/h2-4H,1H3.
What are the key properties of 1-methyl-5-(trifluoromethyl)pyridine-2-thione?
1-methyl-5-(trifluoromethyl)pyridine-2-thione has a molecular weight of 193.19 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)pyridine-2-thione is sourced from PubChem (CID 3106369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).