4-(difluoromethyl)-6-methyl-1H-pyridine-2-thione

C7H7F2NS — CID 175749886

IUPAC4-(difluoromethyl)-6-methyl-1H-pyridine-2-thione
SMILESCc1cc(C(F)F)cc(=S)[nH]1
InChIInChI=1S/C7H7F2NS/c1-4-2-5(7(8)9)3-6(11)10-4/h2-3,7H,1H3,(H,10,11)
InChIKeyXRMHNUFAQUIBRV-UHFFFAOYSA-N
MW175.20 g/mol
LogP2.99
Rot. Bonds1

About 4-(difluoromethyl)-6-methyl-1H-pyridine-2-thione

4-(difluoromethyl)-6-methyl-1H-pyridine-2-thione (PubChem CID 175749886) has the molecular formula C7H7F2NS and a molecular weight of 175.20 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methyl-1H-pyridine-2-thione
PubChem CID175749886
Molecular FormulaC7H7F2NS
Molecular Weight175.20 g/mol
Exact Mass175.03
IUPAC Name4-(difluoromethyl)-6-methyl-1H-pyridine-2-thione
SMILESCc1cc(C(F)F)cc(=S)[nH]1
InChIInChI=1S/C7H7F2NS/c1-4-2-5(7(8)9)3-6(11)10-4/h2-3,7H,1H3,(H,10,11)
InChIKeyXRMHNUFAQUIBRV-UHFFFAOYSA-N
XLogP2.99
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(difluoromethyl)-6-methyl-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 4-(difluoromethyl)-6-methyl-1H-pyridine-2-thione?
The IUPAC name of 4-(difluoromethyl)-6-methyl-1H-pyridine-2-thione (CID 175749886) is 4-(difluoromethyl)-6-methyl-1H-pyridine-2-thione.
What is the SMILES notation for 4-(difluoromethyl)-6-methyl-1H-pyridine-2-thione?
The canonical SMILES for 4-(difluoromethyl)-6-methyl-1H-pyridine-2-thione is Cc1cc(C(F)F)cc(=S)[nH]1.
What is the InChIKey of 4-(difluoromethyl)-6-methyl-1H-pyridine-2-thione?
The InChIKey is XRMHNUFAQUIBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NS/c1-4-2-5(7(8)9)3-6(11)10-4/h2-3,7H,1H3,(H,10,11).
What are the key properties of 4-(difluoromethyl)-6-methyl-1H-pyridine-2-thione?
4-(difluoromethyl)-6-methyl-1H-pyridine-2-thione has a molecular weight of 175.20 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-methyl-1H-pyridine-2-thione is sourced from PubChem (CID 175749886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).