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Substance Name: Phosphorodithioic acid, O,O-diethyl ester, S-ester with 3-(mercaptomethyl)-2-benzoxazolinone
RN: 30725-71-4
InChIKey: YAAFKGCBOCRHIF-UHFFFAOYSA-N

Classification Codes

  • Acaricide
  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C12-H16-N-O4-P-S2

Molecular Weight

  • 333.367
 
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Names and Synonyms

Synonyms

  • BRN 0680594
  • ENT 25,871
  • Hercules 6286-B
  • O,O-Diethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl)phosphorodithioate
  • Phosphorodithioic acid, O,O-diethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) ester

Systematic Name

  • Phosphorodithioic acid, O,O-diethyl ester, S-ester with 3-(mercaptomethyl)-2-benzoxazolinone

Registry Numbers

CAS Registry Number

  • 30725-71-4

System Generated Number

  • 0030725714

Structure Descriptors

InChI

1S/C12H16NO4PS2/c1-3-15-18(19,16-4-2)20-9-13-10-7-5-6-8-11(10)17-12(13)14/h5-8H,3-4,9H2,1-2H3

InChIKey

YAAFKGCBOCRHIF-UHFFFAOYSA-N

Smiles

P(OCC)(OCC)(SCn1c(oc2c1cccc2)=O)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 81mg/kg (81mg/kg)   Agricultural Research Service, USDA Information Memorandum. Vol. 20, Pg. 12, 1966.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 43 deg C   EXP
log P (octanol-water) 3.650 (none)   EST
Water Solubility 2.15 mg/L 20 EXP
Atmospheric OH Rate Constant 2.44E-10 cm3/molecule-sec 25 EST

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