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18278-44-9

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Basic Information
CAS No.: 18278-44-9
Name: O-methyl S-[2-(methylamino)-2-oxoethyl] methylphosphonodithioate
Molecular Structure:
Molecular Structure of 18278-44-9 (O-methyl S-[2-(methylamino)-2-oxoethyl] methylphosphonodithioate)
Formula: C5H12NO2PS3
Molecular Weight: 245.33
Density: 1.259g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NOx, POx, and SOx.
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  • METHYLPHOSPHONODITHIOIC ACID O-METHYL ESTER, S-ESTER with 2-MERCAPTO-N-METHYLACETAMIDE

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    18278-44-9

    METHYLPHOSPHONODITHIOIC ACID O-METHYL ESTER, S-ESTER with 2-MERCAPTO-N-METHYLACETAMIDE

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Chemistry

Molecule structure of Phosphonodithioic acid, methyl-, O-methyl ester, S-ester with 2-mercapto-N-methylacetamide (CAS NO.18278-44-9):

IUPAC Name: 2-[Methoxy(methyl)phosphinothioyl]sulfanyl-N-methylacetamide 
Molecular Weight: 213.258041 g/mol
Molecular Formula: C5H12NO2PS2 
Density: 1.259 g/cm3
Index of Refraction: 1.534
Molar Refractivity: 52.71 cm3
Molar Volume: 169.3 cm3
Polarizability: 20.89×10-24 cm3
Surface Tension: 48.9 dyne/cm
XLogP3: 0.7
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 213.004707
MonoIsotopic Mass: 213.004707
Topological Polar Surface Area: 38.3
Heavy Atom Count: 11
Complexity: 185
Canonical SMILES: CNC(=O)CSP(=S)(C)OC
InChI: InChI=1S/C5H12NO2PS2/c1-6-5(7)4-11-9(3,10)8-2/h4H2,1-3H3,(H,6,7)
InChIKey of Phosphonodithioic acid, methyl-, O-methyl ester, S-ester with 2-mercapto-N-methylacetamide (CAS NO.18278-44-9): YZQOKAIBYOGDHG-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:10 mg/kg

     ARSIM*    Agricultural Research Service, USDA Information Memorandum. 20 (1966),15.
2.    

orl-gpg LDLo:10 mg/kg

     JEENAI    Journal of Economic Entomology. 60 (3)(1967),733.
3.    

scu-gpg LDLo:25 mg/kg

     JEENAI    Journal of Economic Entomology. 60 (3)(1967),733.

Safety Profile

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

Specification

 Phosphonodithioic acid, methyl-, O-methyl ester, S-ester with 2-mercapto-N-methylacetamide (CAS NO.18278-44-9) is also named as AI3-25977 ; BRN 2090591 ; CP 19203 ; ENT 25,977 ; Monsanto CP-19203 ; O-Methyl S-(((methylamino)carbonyl)methyl) methylphosphonodithioate ; Phosphonodithioic acid, methyl-, O-methyl S-(((methylamino)carbonyl)methyl) ester ; Phosphonodithioic acid, methyl-, O-methyl S-(2-(methylamino)-2-oxoethyl) ester (9CI) .