ContaminantDB: Methamidophos

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-22 03:48:59 UTC

Update Date

2016-11-09 01:15:30 UTC

Accession Number

CHEM016950

Identification

Common Name

Methamidophos

Class

Small Molecule

Description

An organic thiophosphate resulting from the N-deacylation of the proinsecticide acephate.

Contaminant Sources

STOFF IDENT Compounds
ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
Metamidophos	ChEBI
Methyl phosphoramidothioate	ChEBI
O,S-Dimethyl amidothiophosphate	ChEBI
O,S-Dimethyl phosphoramidothiolate	ChEBI
Phosphoramidothioic acid, O,S-dimethyl ester	ChEBI
Thiophosphoramidic acid O,S-dimethyl ester	ChEBI
Methyl phosphoramidothioic acid	Generator
O,S-Dimethyl amidothiophosphoric acid	Generator
O,S-Dimethyl phosphoramidothiolic acid	Generator
Phosphoramidothioate, O,S-dimethyl ester	Generator
Thiophosphoramidate O,S-dimethyl ester	Generator
Acephate-met	HMDB
Amidor	HMDB
Chevron 9006	HMDB
Chevron ortho 9006	HMDB
Filitox	HMDB
Hamidop	HMDB
Metamidofos estrella	HMDB
Methamidophos	HMDB
Methyl phosphoramidothioate ((meo)(mes)p(O)(NH2))	HMDB
Monitor	HMDB
Monitor (insecticide)	HMDB
MTD	HMDB
O,S-Dimethyl phosphoramidothioate	HMDB
O,S-Dimethyl phosphoroamidothioate	HMDB
O,S-Dimethylphosphoroamidothioate	HMDB
Ortho monitor	HMDB
Patrole	HMDB
Pillaron	HMDB
Sniper	HMDB
Tahmabon	HMDB
Tamanox	HMDB
Tamaron	HMDB

Chemical Formula

C₂H₈NO₂PS

Average Molecular Mass

141.129 g/mol

Monoisotopic Mass

141.001 g/mol

CAS Registry Number

10265-92-6

IUPAC Name

[methoxy(methylsulfanyl)phosphoryl]amine

Traditional Name

tamaron

SMILES

COP(N)(=O)SC

InChI Identifier

InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)

InChI Key

NNKVPIKMPCQWCG-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as phosphoramidothioic-acid-o,s-diesters. These are organooxygen compounds containing a O,S-diester derivative of phosphoroamidothioic acid. They have the general structure RSP(=O)(OR')(NH2), where R,R' are organyl groups.

Kingdom

Organic compounds

Super Class

Organophosphorus compounds

Class

Organothiophosphorus compounds

Sub Class

Phosphoramidothioic-acid-O,S-diesters

Direct Parent

Phosphoramidothioic-acid-O,S-diesters

Alternative Parents

Substituents

Phosphoramidothioic-acid-o,s-diester
Sulfenyl compound
Organic nitrogen compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organosulfur compound
Organooxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

organic thiophosphate (CHEBI:38721 )
organothiophosphate insecticide (CHEBI:38721 )
phosphoramide (CHEBI:38721 )
Phosphoramido insecticides (C18667 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	30.6 g/L	ALOGPS
logP	-0.94	ALOGPS
logP	-0.32	ChemAxon
logS	-0.66	ALOGPS
pKa (Strongest Acidic)	15.57	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	52.32 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	31.68 m³·mol⁻¹	ChemAxon
Polarizability	12.07 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-08i4-9300000000-56d4e3bc363cce753683	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0007-7900000000-32e474674de8c15ed60a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0005-9300000000-b1c907e2fd5c6190ef90	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-01ot-9000000000-19efb41eb42da7683de1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000f-9700000000-bc4a47915aa2f2d4402f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0002-9000000000-d2352d752bc864cb342c	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4j-9500000000-66b182cec233c6816900	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-01ox-9000000000-ac78ce24adc5437da9cc	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-01tc-9000000000-e3aebff85244210b523d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-06r2-9200000000-c0c6e8d9e2352da18aa8	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-6900000000-f28bfe26553972983789	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0006-9600000000-551cd5d207c6e8ea8c71	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03dj-9000000000-48066750a628bea43a42	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum