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Substance Name: Phosphorothioic acid, O,O-dimethyl O-(3,5-dimethyl-4-nitrophenyl) ester
RN: 50590-05-1
InChIKey: SEWMINUMBBPFPX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N-O5-P-S

Molecular Weight

  • 291.2626
 
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Names and Synonyms

Synonyms

  • BRN 1994675
  • O,O-Dimethyl O-(3,5-dimethyl-4-nitrophenyl)phosphorothioate

Systematic Name

  • Phosphorothioic acid, O,O-dimethyl O-(3,5-dimethyl-4-nitrophenyl) ester

Registry Numbers

CAS Registry Number

  • 50590-05-1

System Generated Number

  • 0050590051

Structure Descriptors

InChI

1S/C10H14NO5PS/c1-7-5-9(16-17(18,14-3)15-4)6-8(2)10(7)11(12)13/h5-6H,1-4H3

InChIKey

SEWMINUMBBPFPX-UHFFFAOYSA-N

Smiles

Cc1cc(cc(c1[N+](=O)[O-])C)OP(=S)(OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1470mg/kg (1470mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Archives of Toxicology. Vol. 41, Pg. 111, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.89 (none)   EXP
Water Solubility 2.680 mg/L 25 EST
Vapor Pressure 9.74E-06 mm Hg 25 EST
Henry's Law Constant 2.05E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.19E-11 cm3/molecule-sec 25 EST

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