AI 3-22821 structure

AI 3-22821

dimethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane

Also Known As: methyl diazinon|AI3-22821|AI 3-22821|4-23-00-02488 (Beilstein Handbook Reference)|Phosphorothioic acid, O,O-dimethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) ester|O-(2-Isopropyl-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate|G-25039|Phosphorothioic acid, O,O-dimethyl O-(6-methyl-2-(1-methylethyl)-4-pyrimidinyl) ester|Phosphorothioic acid,O,O-dimethyl O-(6-methyl-2-(1-methylethyl)-4-pyrimidinyl)ester|dimethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-|O,O-Dimethyl O-[6-methyl-2-(propan-2-yl)pyrimidin-4-yl] phosphorothioate|O,O-dimethyl O-6-methyl-2-(propan-2-yl)pyrimidin-4-yl phosphorothioate|Phosphorothioic acid, O,O-dimethyl O-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester|Thiophosphoric acid O,O-dimethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) ester

CAS: 42965-68-4
Molecular Formula C10H17N2O3PS
Molecular Weight 276.06976 g/mol
LogP 3.1
Topological Polar Surface Area 85.6 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 276.06976
Monoisotopic Mass 276.06976
Heavy Atoms 17
Complexity 283.0

Chemical Identifiers

CAS Number 42965-68-4
SMILES CC1=CC(=NC(=N1)C(C)C)OP(=S)(OC)OC
InChIKey BWLAZVMXYIXHCL-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (12 patents) Organic Building Blocks (3 patents) Pharmaceutical Intermediates (3 patents)

Product Overview

AI 3-22821 (CAS 42965-68-4), with molecular formula C10H17N2O3PS and molecular weight 276.06976 g/mol. IUPAC: dimethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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