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Substance Name: 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride
RN: 130997-57-8
InChIKey: FOFWIDPEJSJOPB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H10-F6-N2-O-S2.Cl-H

Molecular Weight

  • 412.8049
 
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Names and Synonyms

Synonym

  • 2-Imino-3-(2-(2,2,2-trifluoroethylthio)ethyl)-6-trifluoromethoxybenzothiazoline hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 130997-57-8

System Generated Number

  • 0130997578

Molecular Formulas

Molecular Formula

  • C12-H10-F6-N2-O-S2.Cl-H

Molecular Formula Fragments

  • C12-H10-F6-N2-O-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H10F6N2OS2.ClH/c13-11(14,15)6-22-4-3-20-8-2-1-7(21-12(16,17)18)5-9(8)23-10(20)19;/h1-2,5,19H,3-4,6H2;1H

InChIKey

FOFWIDPEJSJOPB-UHFFFAOYSA-N

Smiles

c1cc2c(cc1OC(F)(F)F)sc(=N)n2CCSCC(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,