2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine

C9H3Cl2F2N3S — CID 60726032

IUPAC2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine
SMILESFc1ccc(Sc2nc(Cl)nc(Cl)n2)c(F)c1
InChIInChI=1S/C9H3Cl2F2N3S/c10-7-14-8(11)16-9(15-7)17-6-2-1-4(12)3-5(6)13/h1-3H
InChIKeyWOFFQOXERDOUOP-UHFFFAOYSA-N
MW294.11 g/mol
LogP3.61
Rot. Bonds2

About 2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine

2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine (PubChem CID 60726032) has the molecular formula C9H3Cl2F2N3S and a molecular weight of 294.11 g/mol. Its IUPAC name is 2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine
PubChem CID60726032
Molecular FormulaC9H3Cl2F2N3S
Molecular Weight294.11 g/mol
Exact Mass292.94
IUPAC Name2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine
SMILESFc1ccc(Sc2nc(Cl)nc(Cl)n2)c(F)c1
InChIInChI=1S/C9H3Cl2F2N3S/c10-7-14-8(11)16-9(15-7)17-6-2-1-4(12)3-5(6)13/h1-3H
InChIKeyWOFFQOXERDOUOP-UHFFFAOYSA-N
XLogP3.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine (CID 60726032) is 2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine is Fc1ccc(Sc2nc(Cl)nc(Cl)n2)c(F)c1.
What is the InChIKey of 2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine?
The InChIKey is WOFFQOXERDOUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl2F2N3S/c10-7-14-8(11)16-9(15-7)17-6-2-1-4(12)3-5(6)13/h1-3H.
What are the key properties of 2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine?
2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine has a molecular weight of 294.11 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine is sourced from PubChem (CID 60726032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).