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Substance Name: 2(3H)-Benzothiazolimine, 3-(2-((4-fluorophenyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride
RN: 130997-56-7
InChIKey: ZTDYODLEFWSOCH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-F4-N2-O-S2.Cl-H

Molecular Weight

  • 424.8687
 
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Names and Synonyms

Synonym

  • 3-(2-(4-Fluorophenylthio)ethyl)-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride

Systematic Name

  • 2(3H)-Benzothiazolimine, 3-(2-((4-fluorophenyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 130997-56-7

System Generated Number

  • 0130997567

Molecular Formulas

Molecular Formula

  • C16-H12-F4-N2-O-S2.Cl-H

Molecular Formula Fragments

  • C16-H12-F4-N2-O-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H12F4N2OS2.ClH/c17-10-1-4-12(5-2-10)24-8-7-22-13-6-3-11(23-16(18,19)20)9-14(13)25-15(22)21;/h1-6,9,21H,7-8H2;1H

InChIKey

ZTDYODLEFWSOCH-UHFFFAOYSA-N

Smiles

c1cc(ccc1F)SCCn2c3ccc(cc3sc2=N)OC(F)(F)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 15mg/kg (15mg/kg)   United States Patent Document. Vol. #4980356,