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Substance Name: Phosphorothioic acid, cyclic O,O,O-ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol
RN: 3196-56-3
InChIKey: OKSHJMXSMVSYAW-UHFFFAOYSA-N

Molecular Formula

  • C5-H9-O3-P-S

Molecular Weight

  • 180.163
 
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Names and Synonyms

Synonyms

  • 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl, cyclic phosphorothioate (1:1)
  • 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-methyl-, 1-sulfide
  • 2-(Hydroxymethyl)-2-methyl-1,3-propanediol, cyclic phosphorothioate (1:1)
  • 4-Methyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-sulfide
  • BRN 1909771

Systematic Name

  • Phosphorothioic acid, cyclic O,O,O-ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 3196-56-3

System Generated Number

  • 0003196563

Structure Descriptors

InChI

1S/C5H9O3PS/c1-5-2-6-9(10,7-3-5)8-4-5/h2-4H2,1H3

InChIKey

OKSHJMXSMVSYAW-UHFFFAOYSA-N

Smiles

C12(COP(=S)(OC1)OC2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 34mg/kg (34mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Science. Vol. 182, Pg. 1135, 1973.