Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 2,4,8-trimethyl-5-oxo-, ethyl ester
RN: 64028-99-5
InChIKey: VEHYYCRDMUUZEQ-JXMROGBWSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C9-H17-N3-O4-S2

Molecular Weight

  • 295.3823
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2,4,8-Trimethyl-5-oxo-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid ethyl ester
  • BRN 2142700

Systematic Name

  • 6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 2,4,8-trimethyl-5-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 64028-99-5

System Generated Number

  • 0064028995

Structure Descriptors

InChI

1S/C9H17N3O4S2/c1-6-15-8(13)11(3)18-12(4)9(14)16-10-7(2)17-5/h6H2,1-5H3/b10-7+

InChIKey

VEHYYCRDMUUZEQ-JXMROGBWSA-N

Smiles

CCOC(=O)N(C)SN(C)C(=O)O\N=C(/C)\SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 310mg/kg (310mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 26, Pg. 550, 1978.
rat LD50 oral 226mg/kg (226mg/kg)   United States Patent Document. Vol. #4341795,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.9 (none)   EXP
Water Solubility 312 mg/L 25 EST
Vapor Pressure 1.73E-04 mm Hg 25 EST
Henry's Law Constant 5.58E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.50E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.