3-benzylsulfanyl-6-(2-methoxyphenyl)pyridazine

C18H16N2OS — CID 7206031

IUPAC3-benzylsulfanyl-6-(2-methoxyphenyl)pyridazine
SMILESCOc1ccccc1-c1ccc(SCc2ccccc2)nn1
InChIInChI=1S/C18H16N2OS/c1-21-17-10-6-5-9-15(17)16-11-12-18(20-19-16)22-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3
InChIKeyXLBOLRVLCGGOCP-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.44
Rot. Bonds5

About 3-benzylsulfanyl-6-(2-methoxyphenyl)pyridazine

3-benzylsulfanyl-6-(2-methoxyphenyl)pyridazine (PubChem CID 7206031) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-benzylsulfanyl-6-(2-methoxyphenyl)pyridazine.

Molecular Properties

Compound Name3-benzylsulfanyl-6-(2-methoxyphenyl)pyridazine
PubChem CID7206031
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name3-benzylsulfanyl-6-(2-methoxyphenyl)pyridazine
SMILESCOc1ccccc1-c1ccc(SCc2ccccc2)nn1
InChIInChI=1S/C18H16N2OS/c1-21-17-10-6-5-9-15(17)16-11-12-18(20-19-16)22-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3
InChIKeyXLBOLRVLCGGOCP-UHFFFAOYSA-N
XLogP4.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzylsulfanyl-6-(2-methoxyphenyl)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-benzylsulfanyl-6-(2-methoxyphenyl)pyridazine?
The IUPAC name of 3-benzylsulfanyl-6-(2-methoxyphenyl)pyridazine (CID 7206031) is 3-benzylsulfanyl-6-(2-methoxyphenyl)pyridazine.
What is the SMILES notation for 3-benzylsulfanyl-6-(2-methoxyphenyl)pyridazine?
The canonical SMILES for 3-benzylsulfanyl-6-(2-methoxyphenyl)pyridazine is COc1ccccc1-c1ccc(SCc2ccccc2)nn1.
What is the InChIKey of 3-benzylsulfanyl-6-(2-methoxyphenyl)pyridazine?
The InChIKey is XLBOLRVLCGGOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-21-17-10-6-5-9-15(17)16-11-12-18(20-19-16)22-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3.
What are the key properties of 3-benzylsulfanyl-6-(2-methoxyphenyl)pyridazine?
3-benzylsulfanyl-6-(2-methoxyphenyl)pyridazine has a molecular weight of 308.41 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-6-(2-methoxyphenyl)pyridazine is sourced from PubChem (CID 7206031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).