31464-99-0

Basic information

• Product Name: N-Methylamidothiophosphoric acid O,O-dimethyl ester
• Synonyms: N-Methylamidothiophosphoric acid O,O-dimethyl ester
• CAS NO: 31464-99-0
• Molecular Formula: C₃H₁₀NO₂PS
• Molecular Weight: 155.16
• Mol File: 31464-99-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 55 °C(Press: 0.3 Torr)
• Appearance: /
• Density: 1.178±0.06 g/cm3(Predicted)
• PKA: 1.08±0.70(Predicted)
• CAS DataBase Reference: N-Methylamidothiophosphoric acid O,O-dimethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: N-Methylamidothiophosphoric acid O,O-dimethyl ester(31464-99-0)
• EPA Substance Registry System: N-Methylamidothiophosphoric acid O,O-dimethyl ester(31464-99-0)

Safety Data

• Hazardous Substances Data: 31464-99-0(Hazardous Substances Data)

Upstream product

• 2524-03-0 dimethyl chlorothiophosphate 
• 74-89-5 methylamine 
• 593-51-1 methylamine hydrochloride 

Downstream Products

• 123269-09-0 dimethyl N-benzoyl-N-methylphosphoramidothionate 
• 65960-94-3 N,N-dimethyl O,S-dimethyl phosphoramidothioate 
• 65960-92-1 N,O,S-Trimethyl-phosphoramidothiolat 

Relevant articles and documents

Synthesis, spectroscopic characterization and structure-activity relationship of some phosphoramidothioate pesticides

In this work, some phosphoramidothioates (PATs) with the general formula of (CH3O)2P(S)X and (CH3O)(CH3S)P(O)X, where, X = NH2 (1 & 6), NH(CH3) (2 & 7), N(CH3)2 (3 & 8), N(Et)2 (4 & 9), (CH3CH2O)2P(S)NH(CH3) (5) and (CH3CH2O)(CH3CH2S)P(O)NH(CH 3) (10), were synthesized and characterized by 31P, 31P{1H}, 13C and 1H NMR spectroscopy. The ability of the compounds to inhibit AChE was predicted by PASS software (version 1.193). They were also experimentally evaluated by a modified Ellman's assay. The structure-activity relationship (SAR) between IC50 and some physico-chemical properties such as lipophilicity (logP), electronic and steric effects of the compounds was studied. The logP values were experimentally determined by the shake-flask (gas chromatography) method. Inhibitory potency for the compounds 1-10 was 1 (3.38 mM) > 2 (3.97 mM) > 3 (4.75 mM) > 4 (6.00 mM) > 5 (5.51 mM) > 6 (0.07 mM) > 7 (0.23 mM) > 8 (0.39 mM) > and 9 (0.55 mM) > 10 (0.51 mM), respectively. IC50 and logP parameters of the P=O moiety were more than the P=S moiety in PAT analogues.