diethoxy-[6-(2-methylpropoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane

C12H21N2O4PS — CID 21400600

IUPACdiethoxy-[6-(2-methylpropoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)Oc1ccc(OCC(C)C)nn1
InChIInChI=1S/C12H21N2O4PS/c1-5-16-19(20,17-6-2)18-12-8-7-11(13-14-12)15-9-10(3)4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyIIGHCEUPFJKGFL-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.19
Rot. Bonds9

About diethoxy-[6-(2-methylpropoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane

diethoxy-[6-(2-methylpropoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane (PubChem CID 21400600) has the molecular formula C12H21N2O4PS and a molecular weight of 320.35 g/mol. Its IUPAC name is diethoxy-[6-(2-methylpropoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediethoxy-[6-(2-methylpropoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane
PubChem CID21400600
Molecular FormulaC12H21N2O4PS
Molecular Weight320.35 g/mol
Exact Mass320.10
IUPAC Namediethoxy-[6-(2-methylpropoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)Oc1ccc(OCC(C)C)nn1
InChIInChI=1S/C12H21N2O4PS/c1-5-16-19(20,17-6-2)18-12-8-7-11(13-14-12)15-9-10(3)4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyIIGHCEUPFJKGFL-UHFFFAOYSA-N
XLogP3.19
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-[6-(2-methylpropoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane?
The IUPAC name of diethoxy-[6-(2-methylpropoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane (CID 21400600) is diethoxy-[6-(2-methylpropoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diethoxy-[6-(2-methylpropoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for diethoxy-[6-(2-methylpropoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane is CCOP(=S)(OCC)Oc1ccc(OCC(C)C)nn1.
What is the InChIKey of diethoxy-[6-(2-methylpropoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane?
The InChIKey is IIGHCEUPFJKGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N2O4PS/c1-5-16-19(20,17-6-2)18-12-8-7-11(13-14-12)15-9-10(3)4/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of diethoxy-[6-(2-methylpropoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane?
diethoxy-[6-(2-methylpropoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane has a molecular weight of 320.35 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[6-(2-methylpropoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 21400600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).