1-phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone

C18H14N2OS — CID 7205727

IUPAC1-phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C18H14N2OS/c21-17(15-9-5-2-6-10-15)13-22-18-12-11-16(19-20-18)14-7-3-1-4-8-14/h1-12H,13H2
InChIKeyAZMITAQWUHSOLA-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.12
Rot. Bonds5

About 1-phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone

1-phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone (PubChem CID 7205727) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone
PubChem CID7205727
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name1-phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C18H14N2OS/c21-17(15-9-5-2-6-10-15)13-22-18-12-11-16(19-20-18)14-7-3-1-4-8-14/h1-12H,13H2
InChIKeyAZMITAQWUHSOLA-UHFFFAOYSA-N
XLogP4.12
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone?
The IUPAC name of 1-phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone (CID 7205727) is 1-phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone.
What is the SMILES notation for 1-phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone?
The canonical SMILES for 1-phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone is O=C(CSc1ccc(-c2ccccc2)nn1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone?
The InChIKey is AZMITAQWUHSOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c21-17(15-9-5-2-6-10-15)13-22-18-12-11-16(19-20-18)14-7-3-1-4-8-14/h1-12H,13H2.
What are the key properties of 1-phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone?
1-phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone has a molecular weight of 306.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone is sourced from PubChem (CID 7205727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).