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Substance Name: AI3-29549
RN: 72542-56-4
UNII: 31O9715V9I
InChIKey: ATEBGFOYQXZUEB-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C14-H28-N3-O4-P-S3

Molecular Weight

  • 429.5642
 
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Names and Synonyms

Results Name

  • AI3-29549

Name of Substance

  • N-((((((5,5-Dimethyl-1,3,2-dioxaphosphorinan-2-yl)(1,1-dimethylethyl)amino)thio)methylamino)carbonyl)oxy)ethanimidothioic acid methyl ester P-sulfide

Synonyms

  • AI3-29549
  • BRN 2309563
  • U-56295
  • UNII-31O9715V9I

Systematic Names

  • Ethanimidothioic acid, N-((((((1,1-dimethylethyl)(5,5-dimethyl-2-sulfido-1,3,2-dioxaphosphorinan-2-yl)amino)thio)methylamino)carbonyl)oxy)-, methyl ester
  • Ethanimidothioic acid, N-(((((5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)(1,1-dimethylethyl)thio)methylamino)carbonyl)oxy)-, methyl ester, P-sulfide
  • Ethanimodithioic acid, N-((((((5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)(1,1-dimethylethyl)amino)thio)methylamino)carbonyl)oxy)-, methyl ester, P-sulfide

Registry Numbers

CAS Registry Number

  • 72542-56-4

FDA UNII

  • 31O9715V9I

System Generated Number

  • 0072542564

Structure Descriptors

InChI

1S/C14H28N3O4PS3/c1-11(24-8)15-21-12(18)16(7)25-17(13(2,3)4)22(23)19-9-14(5,6)10-20-22/h9-10H2,1-8H3

InChIKey

ATEBGFOYQXZUEB-UHFFFAOYSA-N

Smiles

CSC(=NOC(=O)N(C)SN(C(C)(C)C)P1(=S)OCC(C)(C)CO1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 8gm/kg (8000mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 29, Pg. 1114, 1981.