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Substance Name: Ethanethioic acid, chlorofluoronitro-, S-butyl ester
RN: 118885-89-5
InChIKey: NQFFDWLAAGDWHU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H9-Cl-F-N-O3-S

Molecular Weight

  • 229.6581
 
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Names and Synonyms

Synonyms

  • BRN 5513840
  • Chlorofluoronitroethanethioic acid S-butyl ester

Systematic Name

  • Ethanethioic acid, chlorofluoronitro-, S-butyl ester

Registry Numbers

CAS Registry Number

  • 118885-89-5

System Generated Number

  • 0118885895

Structure Descriptors

InChI

1S/C6H9ClFNO3S/c1-3-4(2)12-5(13)6(7,8)9(10)11/h4H,3H2,1-2H3

InChIKey

NQFFDWLAAGDWHU-UHFFFAOYSA-N

Smiles

CCC(C)OC(=S)C([N+](=O)[O-])(F)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral 137mg/kg (137mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Pharmaceutical Chemistry Journal Vol. 22, Pg. 356, 1988.