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Substance Name: 2(3H)-Benzothiazolimine, 3-(2-(phenylthio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride
RN: 130997-73-8
InChIKey: VBAQNSSDNWWWIR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-F3-N2-O-S2.Cl-H

Molecular Weight

  • 406.8786
 
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Names and Synonyms

Synonyms

  • 2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride
  • 3-(2-(Phenylthio)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine monohydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 130997-73-8

System Generated Number

  • 0130997738

Molecular Formulas

Molecular Formula

  • C16-H13-F3-N2-O-S2.Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C16H13F3N2OS2.ClH/c17-16(18,19)22-11-6-7-13-14(10-11)24-15(20)21(13)8-9-23-12-4-2-1-3-5-12;/h1-7,10,20H,8-9H2;1H

InChIKey

VBAQNSSDNWWWIR-UHFFFAOYSA-N

Smiles

c1ccc(cc1)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,