Cas no 3344-11-4 (Isodimethoate)

Isodimethoate structure
Isodimethoate structure
Product Name:Isodimethoate
CAS No:3344-11-4
MF:C5H12NO3PS2
MW:229.257439613342
CID:311880
PubChem ID:76866
Update Time:2025-04-19

Isodimethoate Chemical and Physical Properties

Names and Identifiers

    • Phosphorodithioic acid,O,S-dimethyl S-[2-(methylamino)-2-oxoethyl] ester
    • 2-{[Methoxy(methylsulfanyl)phosphoryl]sulfanyl}-N-methylethanimidic acid
    • Isodimethoate
    • Phosphorodithioic acid, O,S-dimethyl ester, S-ester with 2-mercapto-N-methylacetamide
    • 3344-11-4
    • 2-[methoxy(methylsulfanyl)phosphoryl]sulfanyl-N-methylacetamide
    • 2-(METHOXY-METHYLSULFANYL-PHOSPHORYL)SULFANYL-N-METHYL-ACETAMIDE
    • DTXSID00955066
    • Phosphorodithioic acid, O,S-dimethyl S-(2-(methylamino)-2-oxoethyl) ester
    • SCHEMBL3114305
    • Isodimethoate (Technical Grade)
    • BRN 1911183
    • Inchi: 1S/C5H12NO3PS2/c1-6-5(7)4-12-10(8,9-2)11-3/h4H2,1-3H3,(H,6,7)
    • InChI Key: IRZFDJFTOCCEPS-UHFFFAOYSA-N
    • SMILES: S(CC(NC)=O)P(=O)(OC)SC

Computed Properties

  • Exact Mass: 228.99976
  • Monoisotopic Mass: 229
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 199
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 106A^2
  • XLogP3: -0.3

Experimental Properties

  • Density: 1.306
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.521
  • PSA: 55.4
  • LogP: 2.42340

Isodimethoate Pricemore >>

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