3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine

C20H20N2S — CID 7206130

IUPAC3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine
SMILESCCc1ccc(-c2ccc(SCc3ccccc3C)nn2)cc1
InChIInChI=1S/C20H20N2S/c1-3-16-8-10-17(11-9-16)19-12-13-20(22-21-19)23-14-18-7-5-4-6-15(18)2/h4-13H,3,14H2,1-2H3
InChIKeyLDHTVWTVRWIHIP-UHFFFAOYSA-N
MW320.46 g/mol
LogP5.31
Rot. Bonds5

About 3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine

3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine (PubChem CID 7206130) has the molecular formula C20H20N2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine.

Molecular Properties

Compound Name3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine
PubChem CID7206130
Molecular FormulaC20H20N2S
Molecular Weight320.46 g/mol
Exact Mass320.13
IUPAC Name3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine
SMILESCCc1ccc(-c2ccc(SCc3ccccc3C)nn2)cc1
InChIInChI=1S/C20H20N2S/c1-3-16-8-10-17(11-9-16)19-12-13-20(22-21-19)23-14-18-7-5-4-6-15(18)2/h4-13H,3,14H2,1-2H3
InChIKeyLDHTVWTVRWIHIP-UHFFFAOYSA-N
XLogP5.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.46
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine?
The IUPAC name of 3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine (CID 7206130) is 3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine.
What is the SMILES notation for 3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine?
The canonical SMILES for 3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine is CCc1ccc(-c2ccc(SCc3ccccc3C)nn2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine?
The InChIKey is LDHTVWTVRWIHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2S/c1-3-16-8-10-17(11-9-16)19-12-13-20(22-21-19)23-14-18-7-5-4-6-15(18)2/h4-13H,3,14H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine?
3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine has a molecular weight of 320.46 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine is sourced from PubChem (CID 7206130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).