2,4-difluoro-6-(4-methylphenyl)sulfanyl-1,3,5-triazine

C10H7F2N3S — CID 54392001

IUPAC2,4-difluoro-6-(4-methylphenyl)sulfanyl-1,3,5-triazine
SMILESCc1ccc(Sc2nc(F)nc(F)n2)cc1
InChIInChI=1S/C10H7F2N3S/c1-6-2-4-7(5-3-6)16-10-14-8(11)13-9(12)15-10/h2-5H,1H3
InChIKeyVHHDPVGYSZTVQS-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.61
Rot. Bonds2

About 2,4-difluoro-6-(4-methylphenyl)sulfanyl-1,3,5-triazine

2,4-difluoro-6-(4-methylphenyl)sulfanyl-1,3,5-triazine (PubChem CID 54392001) has the molecular formula C10H7F2N3S and a molecular weight of 239.25 g/mol. Its IUPAC name is 2,4-difluoro-6-(4-methylphenyl)sulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-difluoro-6-(4-methylphenyl)sulfanyl-1,3,5-triazine
PubChem CID54392001
Molecular FormulaC10H7F2N3S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Name2,4-difluoro-6-(4-methylphenyl)sulfanyl-1,3,5-triazine
SMILESCc1ccc(Sc2nc(F)nc(F)n2)cc1
InChIInChI=1S/C10H7F2N3S/c1-6-2-4-7(5-3-6)16-10-14-8(11)13-9(12)15-10/h2-5H,1H3
InChIKeyVHHDPVGYSZTVQS-UHFFFAOYSA-N
XLogP2.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(4-methylphenyl)sulfanyl-1,3,5-triazine?
The IUPAC name of 2,4-difluoro-6-(4-methylphenyl)sulfanyl-1,3,5-triazine (CID 54392001) is 2,4-difluoro-6-(4-methylphenyl)sulfanyl-1,3,5-triazine.
What is the SMILES notation for 2,4-difluoro-6-(4-methylphenyl)sulfanyl-1,3,5-triazine?
The canonical SMILES for 2,4-difluoro-6-(4-methylphenyl)sulfanyl-1,3,5-triazine is Cc1ccc(Sc2nc(F)nc(F)n2)cc1.
What is the InChIKey of 2,4-difluoro-6-(4-methylphenyl)sulfanyl-1,3,5-triazine?
The InChIKey is VHHDPVGYSZTVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3S/c1-6-2-4-7(5-3-6)16-10-14-8(11)13-9(12)15-10/h2-5H,1H3.
What are the key properties of 2,4-difluoro-6-(4-methylphenyl)sulfanyl-1,3,5-triazine?
2,4-difluoro-6-(4-methylphenyl)sulfanyl-1,3,5-triazine has a molecular weight of 239.25 g/mol, XLogP of 2.61, 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-(4-methylphenyl)sulfanyl-1,3,5-triazine is sourced from PubChem (CID 54392001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).