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Substance Name: 2(3H)-Benzothiazolimine, 3-(3-butenyl)-6-(trifluoromethoxy)-, monohydrobromide
RN: 130997-65-8
InChIKey: QBJZZPKTRQTDRI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H11-F3-N2-O-S.Br-H

Molecular Weight

  • 369.2038
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 130997-65-8

System Generated Number

  • 0130997658

Molecular Formulas

Molecular Formula

  • C12-H11-F3-N2-O-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C12-H11-F3-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C12H11F3N2OS.BrH/c1-2-3-6-17-9-5-4-8(18-12(13,14)15)7-10(9)19-11(17)16;/h2,4-5,7,16H,1,3,6H2;1H

InChIKey

QBJZZPKTRQTDRI-UHFFFAOYSA-N

Smiles

C=CCCn1c2ccc(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,