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

C19H16N2O2S — CID 7206253

IUPAC2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
SMILESCOc1cccc(-c2ccc(SCC(=O)c3ccccc3)nn2)c1
InChIInChI=1S/C19H16N2O2S/c1-23-16-9-5-8-15(12-16)17-10-11-19(21-20-17)24-13-18(22)14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyQXWUFQFUNPNZCO-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.13
Rot. Bonds6

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

2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone (PubChem CID 7206253) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
PubChem CID7206253
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
SMILESCOc1cccc(-c2ccc(SCC(=O)c3ccccc3)nn2)c1
InChIInChI=1S/C19H16N2O2S/c1-23-16-9-5-8-15(12-16)17-10-11-19(21-20-17)24-13-18(22)14-6-3-2-4-7-14/h2-12H,13H2,1H3
InChIKeyQXWUFQFUNPNZCO-UHFFFAOYSA-N
XLogP4.13
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-Benzylsulfanyl-6-(2-methoxyphenyl)pyridazine
CID 7206031
3-(2-Methoxyphenyl)-6-((4-methylbenzyl)thio)pyridazine
CID 7206042
1-(4-Methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone
CID 7205728
2-((6-(3-methoxyphenyl)pyridazin-3-yl)thio)-N-phenethylacetamide
CID 7502868
1-(4-Methoxyphenyl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone
CID 7206013
3-(2-Methoxyphenyl)-6-((3-methylbenzyl)thio)pyridazine
CID 7206032
N-(3-acetylphenyl)-2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)acetamide
CID 16188115
2-[6-(4-Ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
CID 7205969

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone?
The IUPAC name of 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone (CID 7206253) is 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone?
The canonical SMILES for 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone is COc1cccc(-c2ccc(SCC(=O)c3ccccc3)nn2)c1.
What is the InChIKey of 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone?
The InChIKey is QXWUFQFUNPNZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-23-16-9-5-8-15(12-16)17-10-11-19(21-20-17)24-13-18(22)14-6-3-2-4-7-14/h2-12H,13H2,1H3.
What are the key properties of 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone?
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone has a molecular weight of 336.42 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone is sourced from PubChem (CID 7206253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).