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Substance Name: Sulfonium, ethyl(2-mercaptoethyl)(2-(ethylthio)ethyl)-, bromide, S-ester with O,O-diethylphosphorothioate
RN: 64036-97-1
InChIKey: YBFQTSQOZQISTD-UHFFFAOYSA-M

Molecular Formula

  • C12-H28-O3-P-S3.Br

Molecular Weight

  • 427.426
 
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Names and Synonyms

Synonym

  • Sulfonium, ethyl(2-(S-(O,O-diethylphosphorothio))ethyl)(2-(ethylthio)ethyl)-, bromide

Systematic Name

  • Sulfonium, ethyl(2-mercaptoethyl)(2-(ethylthio)ethyl)-, bromide, S-ester with O,O-diethylphosphorothioate

Registry Numbers

CAS Registry Number

  • 64036-97-1

System Generated Number

  • 0064036971

Molecular Formulas

Molecular Formula

  • C12-H28-O3-P-S3.Br

Molecular Formula Fragments

  • Br
  • C12-H28-O3-P-S3
  • COMPONENT

Structure Descriptors

InChI

1S/C12H28O3PS3.BrH/c1-5-14-16(13,15-6-2)18-10-12-19(8-4)11-9-17-7-3;/h5-12H2,1-4H3;1H/q+1;/p-1

InChIKey

YBFQTSQOZQISTD-UHFFFAOYSA-M

Smiles

P(=O)(SCC[S@@+](CCSCC)CC)(OCC)OCC.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 5ug/kg (0.005mg/kg)   Biochemical Pharmacology. Vol. 6, Pg. 244, 1961.