2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine

C9H5F2N3S — CID 12862

IUPAC2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine
SMILESFc1nc(F)nc(Sc2ccccc2)n1
InChIInChI=1S/C9H5F2N3S/c10-7-12-8(11)14-9(13-7)15-6-4-2-1-3-5-6/h1-5H
InChIKeyVTFWWCKGGSCQHW-UHFFFAOYSA-N
MW225.22 g/mol
LogP2.30
Rot. Bonds2

About 2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine

2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine (PubChem CID 12862) has the molecular formula C9H5F2N3S and a molecular weight of 225.22 g/mol. Its IUPAC name is 2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine
PubChem CID12862
Molecular FormulaC9H5F2N3S
Molecular Weight225.22 g/mol
Exact Mass225.02
IUPAC Name2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine
SMILESFc1nc(F)nc(Sc2ccccc2)n1
InChIInChI=1S/C9H5F2N3S/c10-7-12-8(11)14-9(13-7)15-6-4-2-1-3-5-6/h1-5H
InChIKeyVTFWWCKGGSCQHW-UHFFFAOYSA-N
XLogP2.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine with MolForge

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

Launch Full Analysis

Related Compounds

2,4,6-Tris(phenylsulfanyl)-1,3,5-triazine
CID 35592
1,3,5-Triazine, 2-chloro-4,6-bis(phenylthio)-
CID 555884
2,4,6-Tris[(2,3,5,6-tetrafluorophenyl)sulfanyl]-1,3,5-triazine
CID 139202089
2,4-Difluoro-6-(4-methylphenyl)sulfanyl-1,3,5-triazine
CID 54392001
2-Fluoro-4-phenylsulfanyl-1,3,5-triazine
CID 54463919
2-Phenylsulfanyl-4,6-bis(trifluoromethyl)-1,3,5-triazine
CID 169788576
2,4,6-Tris[(4-fluorophenyl)sulfanyl]-1,3,5-triazine
CID 176883446
2-Methoxy-4,6-bis(phenylsulfanyl)-1,3,5-triazine
CID 12006671
6-(4-Fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 25099569
2-Chloro-4-(2,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine
CID 55124127
2-Chloro-4-(2-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine
CID 55124174
2-Chloro-4-(2,5-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine
CID 55124223

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine?
The IUPAC name of 2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine (CID 12862) is 2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine is Fc1nc(F)nc(Sc2ccccc2)n1.
What is the InChIKey of 2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine?
The InChIKey is VTFWWCKGGSCQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N3S/c10-7-12-8(11)14-9(13-7)15-6-4-2-1-3-5-6/h1-5H.
What are the key properties of 2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine?
2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine has a molecular weight of 225.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 12862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).