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

C18H16N2O2S2 — CID 7205972

IUPAC2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
SMILESCCOc1ccc(-c2ccc(SCC(=O)c3cccs3)nn2)cc1
InChIInChI=1S/C18H16N2O2S2/c1-2-22-14-7-5-13(6-8-14)15-9-10-18(20-19-15)24-12-16(21)17-4-3-11-23-17/h3-11H,2,12H2,1H3
InChIKeyOARROTIZGFNKHO-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.58
Rot. Bonds7

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

2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone (PubChem CID 7205972) has the molecular formula C18H16N2O2S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
PubChem CID7205972
Molecular FormulaC18H16N2O2S2
Molecular Weight356.47 g/mol
Exact Mass356.07
IUPAC Name2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
SMILESCCOc1ccc(-c2ccc(SCC(=O)c3cccs3)nn2)cc1
InChIInChI=1S/C18H16N2O2S2/c1-2-22-14-7-5-13(6-8-14)15-9-10-18(20-19-15)24-12-16(21)17-4-3-11-23-17/h3-11H,2,12H2,1H3
InChIKeyOARROTIZGFNKHO-UHFFFAOYSA-N
XLogP4.58
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone (CID 7205972) is 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone is CCOc1ccc(-c2ccc(SCC(=O)c3cccs3)nn2)cc1.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone?
The InChIKey is OARROTIZGFNKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S2/c1-2-22-14-7-5-13(6-8-14)15-9-10-18(20-19-15)24-12-16(21)17-4-3-11-23-17/h3-11H,2,12H2,1H3.
What are the key properties of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone?
2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone has a molecular weight of 356.47 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 7205972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).