diethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane

C10H17N2O3PS2 — CID 21400609

IUPACdiethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)Oc1ccc(SCC)nn1
InChIInChI=1S/C10H17N2O3PS2/c1-4-13-16(17,14-5-2)15-9-7-8-10(12-11-9)18-6-3/h7-8H,4-6H2,1-3H3
InChIKeyQSMHBCVWPMRPDW-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.26
Rot. Bonds8

About diethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane

diethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane (PubChem CID 21400609) has the molecular formula C10H17N2O3PS2 and a molecular weight of 308.37 g/mol. Its IUPAC name is diethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane
PubChem CID21400609
Molecular FormulaC10H17N2O3PS2
Molecular Weight308.37 g/mol
Exact Mass308.04
IUPAC Namediethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)Oc1ccc(SCC)nn1
InChIInChI=1S/C10H17N2O3PS2/c1-4-13-16(17,14-5-2)15-9-7-8-10(12-11-9)18-6-3/h7-8H,4-6H2,1-3H3
InChIKeyQSMHBCVWPMRPDW-UHFFFAOYSA-N
XLogP3.26
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze diethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane?
The IUPAC name of diethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane (CID 21400609) is diethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for diethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane is CCOP(=S)(OCC)Oc1ccc(SCC)nn1.
What is the InChIKey of diethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane?
The InChIKey is QSMHBCVWPMRPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O3PS2/c1-4-13-16(17,14-5-2)15-9-7-8-10(12-11-9)18-6-3/h7-8H,4-6H2,1-3H3.
What are the key properties of diethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane?
diethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane has a molecular weight of 308.37 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 21400609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).