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Substance Name: Demephion-S [ISO:BSI]
RN: 2587-90-8
UNII: 2678KW974N
InChIKey: PSTWJANBJOHFQJ-UHFFFAOYSA-N

Molecular Formula

  • C5-H13-O3-P-S2

Molecular Weight

  • 216.2607
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Insecticide
  • Mutation Data

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 500 lb
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Names and Synonyms

Name of Substance

  • Demephion-S [ISO:BSI]

Synonyms

  • 2-Methylthioethyl O,O-dimethyl phosphorothioate
  • 4-01-00-02460 (Beilstein Handbook Reference)
  • BRN 1707090
  • Caswell No. 369A
  • Cebetox
  • Cymetox
  • Demephion
  • Demephion-S
  • Demephion-S [ISO:BSI]
  • EINECS 219-971-9
  • EPA Pesticide Chemical Code 369200
  • Ethanethiol, 2-(methylthio)-, O,O-dimethyl phosphorothioate
  • Ethanethiol, 2-(methylthio)-, S-ester with O,O-dimethyl phosphorothioate
  • Isotinox
  • Methyl demeton methyl
  • O,O-Dimethyl S-(2-(methylthio)ethyl) phosphorothioate
  • UNII-2678KW974N

Systematic Names

  • Demephion-S
  • Phosphorothioic acid, O,O-dimethyl S-(2-(methylthio)ethyl) ester

Superlist Names

  • Phosphorothioic acid, O,O-dimethyl S-(2-methylthio)ethyl ester
  • Phosphorothioic acid, O,O-dimethyl-S-(2-methylthio) ethyl ester

Registry Numbers

CAS Registry Number

  • 2587-90-8

FDA UNII

  • 2678KW974N

System Generated Number

  • 0002587908

Structure Descriptors

InChI

1S/C5H13O3PS2/c1-7-9(6,8-2)11-5-4-10-3/h4-5H2,1-3H3

InChIKey

PSTWJANBJOHFQJ-UHFFFAOYSA-N

Smiles

COP(=O)(OC)SCCSC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 37mg/kg (37mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Proceedings of the European Society of Toxicology. Vol. 16, Pg. 273, 1975.
mouse LD50 oral 23mg/kg (23mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Proceedings of the European Society of Toxicology. Vol. 16, Pg. 273, 1975.
mouse LDLo subcutaneous 200mg/kg (200mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 1, Pg. 880, 1953.
rat LD50 oral 20mg/kg (20mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Proceedings of the European Society of Toxicology. Vol. 16, Pg. 273, 1975.
rat LD50 skin 68mg/kg (68mg/kg)   World Review of Pest Control. Vol. 9, Pg. 119, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.620 (none)   EST
Water Solubility 300 mg/L 25 EXP
Vapor Pressure 2.34E-03 mm Hg 25 EST
Henry's Law Constant 1.94E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.08E-11 cm3/molecule-sec 25 EST

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