2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-thione

C10H8FN3S — CID 57207533

IUPAC2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-thione
SMILESCc1ccc(-c2nc(=S)nc(F)[nH]2)cc1
InChIInChI=1S/C10H8FN3S/c1-6-2-4-7(5-3-6)8-12-9(11)14-10(15)13-8/h2-5H,1H3,(H,12,13,14,15)
InChIKeyBIFCFGAIIHONGI-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.65
Rot. Bonds1

About 2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-thione

2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-thione (PubChem CID 57207533) has the molecular formula C10H8FN3S and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-thione
PubChem CID57207533
Molecular FormulaC10H8FN3S
Molecular Weight221.26 g/mol
Exact Mass221.04
IUPAC Name2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-thione
SMILESCc1ccc(-c2nc(=S)nc(F)[nH]2)cc1
InChIInChI=1S/C10H8FN3S/c1-6-2-4-7(5-3-6)8-12-9(11)14-10(15)13-8/h2-5H,1H3,(H,12,13,14,15)
InChIKeyBIFCFGAIIHONGI-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-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 2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-thione (CID 57207533) is 2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-thione is Cc1ccc(-c2nc(=S)nc(F)[nH]2)cc1.
What is the InChIKey of 2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-thione?
The InChIKey is BIFCFGAIIHONGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3S/c1-6-2-4-7(5-3-6)8-12-9(11)14-10(15)13-8/h2-5H,1H3,(H,12,13,14,15).
What are the key properties of 2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-thione?
2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-thione has a molecular weight of 221.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 57207533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).