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2047-14-5

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Basic Information
CAS No.: 2047-14-5
Name: Dithiophosphoric acid O,O-diethyl S-(carbamoylmethyl) ester
Molecular Structure:
Molecular Structure of 2047-14-5 (Dithiophosphoric acid O,O-diethyl S-(carbamoylmethyl) ester)
Formula: C6H13NO3PS2
Molecular Weight: 242.29
Synonyms: Acethion amide;dithiophosphoric acid O,O'-diethyl ester-S-carbamoylmethyl ester;Dithiophosphorsaeure-O,O'-diaethylester-S-carbamoylmethylester;Diaethoxythiophosphorylmercapto-essigsaeure-amid;O,O-Diethyl-S-carbamoylmethyl-dithiophosphat;Phosphorodithioic acid,O,O-diethyl ester,S-ester with 2-mercaptoacetamide;
Density: 1.3g/cm3
Boiling Point: 351.5°Cat760mmHg
Flash Point: 166.4°C
Safety: Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of POx, SOx, and NOx.
PSA: 129.74000
LogP: 3.30270
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Chemistry

Product Name: Acethion amide (CAS NO.2047-14-5)


Molecular Formula: C6H14NO3PS2
Molecular Weight: 243.284g/mol
Mol File: 2047-14-5.mol
Boiling point: 5 °C at 760 mmHg
Flash Point: 166.4 °C
Density: 1.3 g/cm3
Surface Tension: 54.5 dyne/cm
Enthalpy of Vaporization: 59.62 kJ/mol
Vapour Pressure: 4.09E-05 mmHg at 25°C
XLogP3-AA: 1.3
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of Acethion amide (CAS NO.2047-14-5):
  IUPAC Name: 2-diethoxyphosphinothioylsulfanylacetamide
  Canonical SMILES: CCOP(=S)(OCC)SCC(=O)N
  InChI: InChI=1S/C6H14NO3PS2/c1-3-9-11(12,10-4-2)13-5-6(7)8/h3-5H2,1-2H3,(H2,7,8) 
  InChIKey: YHZHCEYCTFAWOU-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 11mg/kg (11mg/kg)   Toxicology and Applied Pharmacology. Vol. 2, Pg. 495, 1960.
mouse LD50 oral 16mg/kg (16mg/kg)   Pesticide Biochemistry and Physiology. Vol. 1, Pg. 340, 1971.
rabbit LD50 oral 15mg/kg (15mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: TETANY		 Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(2), Pg. 47, 1959.
rat LD50 oral 10mg/kg (10mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: TETANY		 Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(2), Pg. 47, 1959.

Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of POx, SOx, and NOx.

Specification

 Acethion amide , its CAS NO. is 2047-14-5, the synonyms are 4-03-00-00626 (Beilstein Handbook Reference) ; AI3-10608 ; BRN 1788842 ; O,O-Diethyl S-(N-carbamoylmethyl) phosphorodithioate ; Phosphorodithioic acid, S-(2-amino-2-oxoethyl) O,O-diethyl ester ; beta-Carbamidocarbomethyl-O,O-diethyldithiophosphate ; Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-mercaptoacetamide .