Phosphorothioic acid, O,O-diethyl O-(6-ethoxy-3-pyridazinyl) ester

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Basic information

CAS: 53667-60-0
Standard SMILES: CCOc1ccc(OP(=S)(OCC)OCC)nn1
InChIKey: ZDOMOWKOYWGOOI-UHFFFAOYSA-N
Molecular formula: C10H17N2O4PS
Average molar mass: 292.29 g/mol
Monoisotopic mass: 292.0646652

Names & identifiers

Preferred name: Phosphorothioic acid, O,O-diethyl O-(6-ethoxy-3-pyridazinyl) ester
IUPAC: diethoxy-(6-ethoxypyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane

Names & synonyms

BRN 0809356Phosphorothioic acid, O,O-diethyl O-(6-ethoxy-3-pyridazinyl) esterO,O-Diethyl O-(6-ethoxy-3-pyridazinyl) phosphorothioateO-(6-Ethoxy-3-pyridazinyl) O,O-diethyl phosphorothioate53667-60-0DTXSID50201909Phosphorothioic acid, O-(6-ethoxy-3-pyridazinyl) O,O-diethyl esterRefChem:371295DTXCID30124400O-(6-Ethoxypyridazin-3-yl) O,O-diethyl phosphorothioate

Database identifiers

CAS: 53667-60-0
PubChem CID: 198318
DTXSID: DTXSID50201909

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 94.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 18
Formal charge: 0
Complexity: 273

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Compound notes

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