2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone

C20H18N2O2S — CID 7205959

IUPAC2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
SMILESCCOc1ccc(-c2ccc(SCC(=O)c3ccccc3)nn2)cc1
InChIInChI=1S/C20H18N2O2S/c1-2-24-17-10-8-15(9-11-17)18-12-13-20(22-21-18)25-14-19(23)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3
InChIKeyIIHKWCVJZRZALO-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.52
Rot. Bonds7

About 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone

2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone (PubChem CID 7205959) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
PubChem CID7205959
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
SMILESCCOc1ccc(-c2ccc(SCC(=O)c3ccccc3)nn2)cc1
InChIInChI=1S/C20H18N2O2S/c1-2-24-17-10-8-15(9-11-17)18-12-13-20(22-21-18)25-14-19(23)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3
InChIKeyIIHKWCVJZRZALO-UHFFFAOYSA-N
XLogP4.52
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Ethoxyphenyl)-6-ethylsulfanylpyridazine
CID 7502726
2-[6-(3,4-Dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
CID 7205820
2-[6-(3,4-Dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
CID 7205828
2-((6-(3,4-Dimethoxyphenyl)pyridazin-3-yl)thio)-1-(thiophen-2-yl)ethanone
CID 7205831
2-[6-(4-Methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
CID 7205890
3-[(2-Fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
CID 7207095
3-Benzylsulfanyl-6-(furan-2-yl)pyridazine
CID 6624186
1-(4-Methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone
CID 7205728
3-[(3-Fluorophenyl)methylthio]-6-(2-furanyl)pyridazine
CID 7207093
3-(Furan-2-yl)-6-((4-methylbenzyl)thio)pyridazine
CID 7207103
2-[6-(Furan-2-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
CID 7207238
1-(4-Fluorophenyl)-2-((6-(furan-2-yl)pyridazin-3-yl)thio)ethanone
CID 7207252

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone?
The IUPAC name of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone (CID 7205959) is 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone is CCOc1ccc(-c2ccc(SCC(=O)c3ccccc3)nn2)cc1.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone?
The InChIKey is IIHKWCVJZRZALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-2-24-17-10-8-15(9-11-17)18-12-13-20(22-21-18)25-14-19(23)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3.
What are the key properties of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone?
2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone has a molecular weight of 350.44 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone is sourced from PubChem (CID 7205959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).