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Substance Name: 2(3H)-Benzothiazolimine, 3-(3-butynyl)-6-(trifluoromethoxy)-
RN: 130997-52-3
InChIKey: BMKPEALPFBWEGE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H9-F3-N2-O-S

Molecular Weight

  • 286.2761
 
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Names and Synonyms

Synonyms

  • 3-(3-Butynyl)-2-imino-6-trifluoromethoxybenzothiazoline
  • 3-(3-Butynyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine

Systematic Name

  • 2(3H)-Benzothiazolimine, 3-(3-butynyl)-6-(trifluoromethoxy)-

Registry Numbers

CAS Registry Number

  • 130997-52-3

System Generated Number

  • 0130997523

Structure Descriptors

InChI

1S/C12H9F3N2OS/c1-2-3-6-17-9-5-4-8(18-12(13,14)15)7-10(9)19-11(17)16/h1,4-5,7,16H,3,6H2

InChIKey

BMKPEALPFBWEGE-UHFFFAOYSA-N

Smiles

C#CCCn1c2ccc(cc2sc1=N)OC(F)(F)F

Toxicity

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