3-ethylsulfanyl-6-(4-methylphenyl)pyridazine

C13H14N2S — CID 7205978

IUPAC3-ethylsulfanyl-6-(4-methylphenyl)pyridazine
SMILESCCSc1ccc(-c2ccc(C)cc2)nn1
InChIInChI=1S/C13H14N2S/c1-3-16-13-9-8-12(14-15-13)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3
InChIKeyRCADKVTVAAPSMP-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.56
Rot. Bonds3

About 3-ethylsulfanyl-6-(4-methylphenyl)pyridazine

3-ethylsulfanyl-6-(4-methylphenyl)pyridazine (PubChem CID 7205978) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 3-ethylsulfanyl-6-(4-methylphenyl)pyridazine.

Molecular Properties

Compound Name3-ethylsulfanyl-6-(4-methylphenyl)pyridazine
PubChem CID7205978
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name3-ethylsulfanyl-6-(4-methylphenyl)pyridazine
SMILESCCSc1ccc(-c2ccc(C)cc2)nn1
InChIInChI=1S/C13H14N2S/c1-3-16-13-9-8-12(14-15-13)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3
InChIKeyRCADKVTVAAPSMP-UHFFFAOYSA-N
XLogP3.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethylsulfanyl-6-(4-methylphenyl)pyridazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-6-(4-methylphenyl)pyridazine?
The IUPAC name of 3-ethylsulfanyl-6-(4-methylphenyl)pyridazine (CID 7205978) is 3-ethylsulfanyl-6-(4-methylphenyl)pyridazine.
What is the SMILES notation for 3-ethylsulfanyl-6-(4-methylphenyl)pyridazine?
The canonical SMILES for 3-ethylsulfanyl-6-(4-methylphenyl)pyridazine is CCSc1ccc(-c2ccc(C)cc2)nn1.
What is the InChIKey of 3-ethylsulfanyl-6-(4-methylphenyl)pyridazine?
The InChIKey is RCADKVTVAAPSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-3-16-13-9-8-12(14-15-13)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-6-(4-methylphenyl)pyridazine?
3-ethylsulfanyl-6-(4-methylphenyl)pyridazine has a molecular weight of 230.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-6-(4-methylphenyl)pyridazine is sourced from PubChem (CID 7205978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).