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

C7H6F3NS — CID 97033267

IUPAC3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione
SMILESCc1cc(C(F)(F)F)c[nH]c1=S
InChIInChI=1S/C7H6F3NS/c1-4-2-5(7(8,9)10)3-11-6(4)12/h2-3H,1H3,(H,11,12)
InChIKeyXRJXGNMIKYMSFP-UHFFFAOYSA-N
MW193.19 g/mol
LogP3.07
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione

3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione (PubChem CID 97033267) has the molecular formula C7H6F3NS and a molecular weight of 193.19 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione
PubChem CID97033267
Molecular FormulaC7H6F3NS
Molecular Weight193.19 g/mol
Exact Mass193.02
IUPAC Name3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione
SMILESCc1cc(C(F)(F)F)c[nH]c1=S
InChIInChI=1S/C7H6F3NS/c1-4-2-5(7(8,9)10)3-11-6(4)12/h2-3H,1H3,(H,11,12)
InChIKeyXRJXGNMIKYMSFP-UHFFFAOYSA-N
XLogP3.07
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione (CID 97033267) is 3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione is Cc1cc(C(F)(F)F)c[nH]c1=S.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione?
The InChIKey is XRJXGNMIKYMSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NS/c1-4-2-5(7(8,9)10)3-11-6(4)12/h2-3H,1H3,(H,11,12).
What are the key properties of 3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione?
3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione has a molecular weight of 193.19 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 97033267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).