Phosphorothioic acid, O,O-diethyl O-(5-methyl-6-(2-methylphenoxy)-3-pyridazinyl) ester

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Basic information

CAS: 53605-23-5
Standard SMILES: CCOP(=S)(OCC)Oc1cc(C)c(Oc2ccccc2C)nn1
InChIKey: XTSAEDHPHYFRIH-UHFFFAOYSA-N
Molecular formula: C16H21N2O4PS
Average molar mass: 368.4 g/mol
Monoisotopic mass: 368.09596533

Names & identifiers

Preferred name: Phosphorothioic acid, O,O-diethyl O-(5-methyl-6-(2-methylphenoxy)-3-pyridazinyl) ester
IUPAC: diethoxy-[5-methyl-6-(2-methylphenoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane

Names & synonyms

BRN 0844049Phosphorothioic acid, O,O-diethyl O-(5-methyl-6-(2-methylphenoxy)-3-pyridazinyl) ester53605-23-5DTXSID70201845O,O-Diethyl O-(5-methyl-6-(2-methylphenoxy)-3-pyridazinyl) phosphorothioateRefChem:371280DTXCID00124336O,O-diethyl O-[5-methyl-6-(2-methylphenoxy)pyridazin-3-yl] phosphorothioate

Database identifiers

CAS: 53605-23-5
PubChem CID: 198312
DTXSID: DTXSID70201845

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 94.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 419

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Compound notes

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