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Substance Name: 2(3H)-Benzothiazolimine, 3-(2-(phenylsulfinyl)ethyl)-6-(trifluoromethoxy)-, monohydrochloride,(+-)-
RN: 130997-50-1
InChIKey: ZUZFGDZEHPQYDB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-F3-N2-O2-S2.Cl-H

Molecular Weight

  • 422.8776
 
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Names and Synonyms

Synonym

  • (RS)-2-Imino-3-(2-phenylsulphinylethyl)-6-trifluoromethoxybenzothiazoline hydrochloride

Systematic Name

  • 2(3H)-Benzothiazolimine, 3-(2-(phenylsulfinyl)ethyl)-6-(trifluoromethoxy)-, monohydrochloride,(+-)-

Registry Numbers

CAS Registry Number

  • 130997-50-1

System Generated Number

  • 0130997501

Molecular Formulas

Molecular Formula

  • C16-H13-F3-N2-O2-S2.Cl-H

Molecular Formula Fragments

  • C16-H13-F3-N2-O2-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H13F3N2O2S2.ClH/c17-16(18,19)23-11-6-7-13-14(10-11)24-15(20)21(13)8-9-25(22)12-4-2-1-3-5-12;/h1-7,10,20H,8-9H2;1H

InChIKey

ZUZFGDZEHPQYDB-UHFFFAOYSA-N

Smiles

c1ccc(cc1)S(=O)CCn2c3ccc(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,