3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine

C21H22N2S — CID 43936932

IUPAC3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine
SMILESCCc1ccc(-c2ccc(SCc3cc(C)ccc3C)nn2)cc1
InChIInChI=1S/C21H22N2S/c1-4-17-7-9-18(10-8-17)20-11-12-21(23-22-20)24-14-19-13-15(2)5-6-16(19)3/h5-13H,4,14H2,1-3H3
InChIKeyBABIIAWUVVDZTR-UHFFFAOYSA-N
MW334.49 g/mol
LogP5.62
Rot. Bonds5

About 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine

3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine (PubChem CID 43936932) has the molecular formula C21H22N2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine
PubChem CID43936932
Molecular FormulaC21H22N2S
Molecular Weight334.49 g/mol
Exact Mass334.15
IUPAC Name3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine
SMILESCCc1ccc(-c2ccc(SCc3cc(C)ccc3C)nn2)cc1
InChIInChI=1S/C21H22N2S/c1-4-17-7-9-18(10-8-17)20-11-12-21(23-22-20)24-14-19-13-15(2)5-6-16(19)3/h5-13H,4,14H2,1-3H3
InChIKeyBABIIAWUVVDZTR-UHFFFAOYSA-N
XLogP5.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.49
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine
CID 7206130
3-(4-ethylphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 43936851
3-(2,4-dimethylphenyl)-6-[(2,5-dimethylphenyl)methylsulfanyl]pyridazine
CID 43936970
5-[6-[(2,5-dimethylphenyl)methylsulfanyl]pyridazin-3-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 27368804
3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine
CID 43937021
3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine
CID 43937023
3-(4-ethylphenyl)-6-methylsulfanylpyridazine
CID 7502801
3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 7205927
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine
CID 57219210
5-[[6-(4-bromophenyl)pyridazin-3-yl]sulfanylmethyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole
CID 46329570
3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 7207331
5-[[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylmethyl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 46329546

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine?
The IUPAC name of 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine (CID 43936932) is 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine?
The canonical SMILES for 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine is CCc1ccc(-c2ccc(SCc3cc(C)ccc3C)nn2)cc1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine?
The InChIKey is BABIIAWUVVDZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2S/c1-4-17-7-9-18(10-8-17)20-11-12-21(23-22-20)24-14-19-13-15(2)5-6-16(19)3/h5-13H,4,14H2,1-3H3.
What are the key properties of 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine?
3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine has a molecular weight of 334.49 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine is sourced from PubChem (CID 43936932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).