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

C20H20N2S — CID 43937021

IUPAC3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine
SMILESCc1ccc(-c2ccc(SCc3ccccc3C)nn2)cc1C
InChIInChI=1S/C20H20N2S/c1-14-8-9-17(12-16(14)3)19-10-11-20(22-21-19)23-13-18-7-5-4-6-15(18)2/h4-12H,13H2,1-3H3
InChIKeyQKXOHEGKZAOFEZ-UHFFFAOYSA-N
MW320.46 g/mol
LogP5.36
Rot. Bonds4

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

3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine (PubChem CID 43937021) has the molecular formula C20H20N2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine
PubChem CID43937021
Molecular FormulaC20H20N2S
Molecular Weight320.46 g/mol
Exact Mass320.13
IUPAC Name3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine
SMILESCc1ccc(-c2ccc(SCc3ccccc3C)nn2)cc1C
InChIInChI=1S/C20H20N2S/c1-14-8-9-17(12-16(14)3)19-10-11-20(22-21-19)23-13-18-7-5-4-6-15(18)2/h4-12H,13H2,1-3H3
InChIKeyQKXOHEGKZAOFEZ-UHFFFAOYSA-N
XLogP5.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine
CID 7206130
3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine
CID 43937023
3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine
CID 7205808
3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine
CID 43936932
5-[[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 46329594
3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine
CID 43936944
N-[3,5-bis(trifluoromethyl)phenyl]-2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936729
3-(4-ethylphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 43936851
5-[6-[(2,5-dimethylphenyl)methylsulfanyl]pyridazin-3-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 27368804
5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine
CID 83267578
3-(3,4-dimethoxyphenyl)-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 50786055
4-chloro-6-[(2-methylphenyl)methylsulfanyl]-2-propan-2-ylpyrimidine
CID 80951036

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine?
The IUPAC name of 3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine (CID 43937021) is 3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine is Cc1ccc(-c2ccc(SCc3ccccc3C)nn2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine?
The InChIKey is QKXOHEGKZAOFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2S/c1-14-8-9-17(12-16(14)3)19-10-11-20(22-21-19)23-13-18-7-5-4-6-15(18)2/h4-12H,13H2,1-3H3.
What are the key properties of 3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine?
3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine has a molecular weight of 320.46 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine is sourced from PubChem (CID 43937021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).