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Substance Name: Phoratoxon
RN: 2600-69-3
UNII: KSY09QD27V
InChIKey: FMXFZNGITFNSAG-UHFFFAOYSA-N

Molecular Formula

  • C7-H17-O3-P-S2

Molecular Weight

  • 244.314
 
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Names and Synonyms

Name of Substance

  • Phoratoxon

Synonyms

  • 4-01-00-03090 (Beilstein Handbook Reference)
  • BRN 1708515
  • Diethyl S-eththiomethyl thiophosphate
  • O,O-Diethyl S-eththiomethyl phosphorothioate
  • Phorate oxygen analog
  • UNII-KSY09QD27V

Systematic Name

  • Phosphorothioic acid, O,O-diethyl S-(ethylthio)methyl ester

Registry Numbers

CAS Registry Number

  • 2600-69-3

FDA UNII

  • KSY09QD27V

System Generated Number

  • 0002600693

Structure Descriptors

InChI

1S/C7H17O3PS2/c1-4-9-11(8,10-5-2)13-7-12-6-3/h4-7H2,1-3H3

InChIKey

FMXFZNGITFNSAG-UHFFFAOYSA-N

Smiles

O=P(OCC)(OCC)SCSCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 250ug/kg (0.25mg/kg)   Pharmacological Reviews. Vol. 11, Pg. 636, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.07 (none)   EXP
Water Solubility 434 mg/L 25 EST
Vapor Pressure 3.32E-04 mm Hg 25 EST
Henry's Law Constant 3.42E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.97E-10 cm3/molecule-sec 25 EST

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