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Substance Name: O,O,O-Trimethyl phosphorothioate
RN: 152-18-1
InChIKey: XWSLYQXUTWUIKM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C3-H9-O3-P-S

Molecular Weight

  • 156.1411
 
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Names and Synonyms

Name of Substance

  • O,O,O-Trimethyl phosphorothioate

Synonyms

  • AI3-51712
  • CCRIS 5569
  • HC 7900
  • O,O,O-Trimethyl phosphorothioate
  • O,O,O-Trimethyl thiophosphate
  • O,O,O-Trimethylester kyseliny thiofosforecne
  • O,O,O-Trimethylester kyseliny thiofosforecne [Czech]
  • O,O,O-Trimethylthiofosfat
  • O,O,O-Trimethylthiofosfat [Czech]
  • SD 4741
  • Trimethylthiofosfat
  • Trimethylthiofosfat [Czech]
  • Trimethylthiophosphate

Systematic Names

  • O,O,O-Trimethyl phosphorothioate
  • O,O,O-Trimethyl phosphorothioic acid ester
  • Phosphorothioic acid, O,O,O-trimethyl ester

Registry Numbers

CAS Registry Number

  • 152-18-1

System Generated Number

  • 0000152181

Structure Descriptors

InChI

1S/C3H9O3PS/c1-4-7(8,5-2)6-3/h1-3H3

InChIKey

XWSLYQXUTWUIKM-UHFFFAOYSA-N

Smiles

COP(=S)(OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   Actualites Pharmacologiques. Vol. 16, Pg. 7, 1963.
mouse LD50 oral 1150mg/kg (1150mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 28, Pg. 599, 1980.
rat LC50 inhalation 220ppm/4H (220ppm)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1148, 1986.
rat LD50 oral 562mg/kg (562mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1148, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.160 (none)   EST
Water Solubility 7230 mg/L 25 EST
Vapor Pressure 1.730 mm Hg 25 EST
Henry's Law Constant 1.15E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.97E-11 cm3/molecule-sec 25 EXP

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