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Substance Name: 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide
RN: 130997-64-7
InChIKey: DLKUPWYIFLDZHM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H9-F3-N2-O-S.Br-H

Molecular Weight

  • 355.177
 
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Names and Synonyms

Synonyms

  • 3-(2-Propenyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine monohydrobromide
  • 3-Allyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide

Systematic Name

  • 2(3H)-Benzothiazolimine, 3-(2-propenyl)-6-(trifluoromethoxy)-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 130997-64-7

System Generated Number

  • 0130997647

Molecular Formulas

Molecular Formula

  • C11-H9-F3-N2-O-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C11-H9-F3-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C11H9F3N2OS.BrH/c1-2-5-16-8-4-3-7(17-11(12,13)14)6-9(8)18-10(16)15;/h2-4,6,15H,1,5H2;1H

InChIKey

DLKUPWYIFLDZHM-UHFFFAOYSA-N

Smiles

C=CCn1c2ccc(cc2sc1=N)OC(F)(F)F.Br

Toxicity

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