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

C11H9Cl2N3S — CID 62869932

IUPAC2,4-dichloro-6-(2,5-dimethylphenyl)sulfanyl-1,3,5-triazine
SMILESCc1ccc(C)c(Sc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C11H9Cl2N3S/c1-6-3-4-7(2)8(5-6)17-11-15-9(12)14-10(13)16-11/h3-5H,1-2H3
InChIKeyIDYXDLIGFKICSF-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.95
Rot. Bonds2

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

2,4-dichloro-6-(2,5-dimethylphenyl)sulfanyl-1,3,5-triazine (PubChem CID 62869932) has the molecular formula C11H9Cl2N3S and a molecular weight of 286.19 g/mol. Its IUPAC name is 2,4-dichloro-6-(2,5-dimethylphenyl)sulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2,5-dimethylphenyl)sulfanyl-1,3,5-triazine
PubChem CID62869932
Molecular FormulaC11H9Cl2N3S
Molecular Weight286.19 g/mol
Exact Mass284.99
IUPAC Name2,4-dichloro-6-(2,5-dimethylphenyl)sulfanyl-1,3,5-triazine
SMILESCc1ccc(C)c(Sc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C11H9Cl2N3S/c1-6-3-4-7(2)8(5-6)17-11-15-9(12)14-10(13)16-11/h3-5H,1-2H3
InChIKeyIDYXDLIGFKICSF-UHFFFAOYSA-N
XLogP3.95
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.95
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-(2,5-dimethylphenyl)sulfanyl-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2,5-dimethylphenyl)sulfanyl-1,3,5-triazine (CID 62869932) is 2,4-dichloro-6-(2,5-dimethylphenyl)sulfanyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2,5-dimethylphenyl)sulfanyl-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2,5-dimethylphenyl)sulfanyl-1,3,5-triazine is Cc1ccc(C)c(Sc2nc(Cl)nc(Cl)n2)c1.
What is the InChIKey of 2,4-dichloro-6-(2,5-dimethylphenyl)sulfanyl-1,3,5-triazine?
The InChIKey is IDYXDLIGFKICSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3S/c1-6-3-4-7(2)8(5-6)17-11-15-9(12)14-10(13)16-11/h3-5H,1-2H3.
What are the key properties of 2,4-dichloro-6-(2,5-dimethylphenyl)sulfanyl-1,3,5-triazine?
2,4-dichloro-6-(2,5-dimethylphenyl)sulfanyl-1,3,5-triazine has a molecular weight of 286.19 g/mol, XLogP of 3.95, 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-(2,5-dimethylphenyl)sulfanyl-1,3,5-triazine is sourced from PubChem (CID 62869932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).