1-(4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone

C19H16N2OS — CID 7205740

IUPAC1-(4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone
SMILESCc1ccc(C(=O)CSc2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C19H16N2OS/c1-14-7-9-16(10-8-14)18(22)13-23-19-12-11-17(20-21-19)15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyLCDSCDPGCCCYGI-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.43
Rot. Bonds5

About 1-(4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone

1-(4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone (PubChem CID 7205740) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone
PubChem CID7205740
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name1-(4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone
SMILESCc1ccc(C(=O)CSc2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C19H16N2OS/c1-14-7-9-16(10-8-14)18(22)13-23-19-12-11-17(20-21-19)15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyLCDSCDPGCCCYGI-UHFFFAOYSA-N
XLogP4.43
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Phenyl-1-(6-(thiophen-2-yl)-pyridazin-3-yl)-heptan-1-one
CID 24951321
1-Phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone
CID 7205727
1-Phenyl-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone
CID 7206012
2-(6-Phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone
CID 7205744
2-[6-(4-Chlorophenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
CID 7205803
1-(4-Fluorophenyl)-2-((6-(3-nitrophenyl)pyridazin-3-yl)thio)ethanone
CID 7205915
(4-Methylpiperidin-1-yl)-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]methanone
CID 6418773
1-Phenyl-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)ethanone
CID 6624187
3-(4-Ethylphenyl)-6-((2-methylbenzyl)thio)pyridazine
CID 7206130
1-(4-Fluorophenyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)ethanone
CID 20900463
2-(2,6-Diethyl-4-methylphenyl)-5-[1-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylpropan-2-yl]cyclohexane-1,3-dione
CID 123705339
2-(2,6-Diethyl-4-methylphenyl)-5-[2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylethyl]cyclohexane-1,3-dione
CID 123853981

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone?
The IUPAC name of 1-(4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone (CID 7205740) is 1-(4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone is Cc1ccc(C(=O)CSc2ccc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone?
The InChIKey is LCDSCDPGCCCYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-14-7-9-16(10-8-14)18(22)13-23-19-12-11-17(20-21-19)15-5-3-2-4-6-15/h2-12H,13H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone?
1-(4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone has a molecular weight of 320.42 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone is sourced from PubChem (CID 7205740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).