3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine

C14H16N2S — CID 7673097

IUPAC3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine
SMILESCSc1ccc(-c2cc(C)c(C)cc2C)nn1
InChIInChI=1S/C14H16N2S/c1-9-7-11(3)12(8-10(9)2)13-5-6-14(17-4)16-15-13/h5-8H,1-4H3
InChIKeyXSCFIQJPQPKQGS-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.79
Rot. Bonds2

About 3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine

3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine (PubChem CID 7673097) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine.

Molecular Properties

Compound Name3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine
PubChem CID7673097
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine
SMILESCSc1ccc(-c2cc(C)c(C)cc2C)nn1
InChIInChI=1S/C14H16N2S/c1-9-7-11(3)12(8-10(9)2)13-5-6-14(17-4)16-15-13/h5-8H,1-4H3
InChIKeyXSCFIQJPQPKQGS-UHFFFAOYSA-N
XLogP3.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine?
The IUPAC name of 3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine (CID 7673097) is 3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine.
What is the SMILES notation for 3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine?
The canonical SMILES for 3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine is CSc1ccc(-c2cc(C)c(C)cc2C)nn1.
What is the InChIKey of 3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine?
The InChIKey is XSCFIQJPQPKQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-9-7-11(3)12(8-10(9)2)13-5-6-14(17-4)16-15-13/h5-8H,1-4H3.
What are the key properties of 3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine?
3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine has a molecular weight of 244.36 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-6-(2,4,5-trimethylphenyl)pyridazine is sourced from PubChem (CID 7673097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).