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Substance Name: 2(3H)-Benzothiazolimine, 3-(2-(2-pyridinylsulfinyl)ethyl)-6-(trifluoromethoxy)-, (+-)-
RN: 130997-48-7
InChIKey: VSKFJSHIZUMHBI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H12-F3-N3-O2-S2

Molecular Weight

  • 387.4048
 
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Names and Synonyms

Synonyms

  • (+-)-3-(2-(2-Pyridinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine
  • (RS)-2-Imino-3-(2-(2-pyridylsulphinyl)ethyl)-6-trifluoromethoxybenzothiazoline

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 130997-48-7

System Generated Number

  • 0130997487

Structure Descriptors

InChI

1S/C15H12F3N3O2S2/c16-15(17,18)23-10-4-5-11-12(9-10)24-14(19)21(11)7-8-25(22)13-3-1-2-6-20-13/h1-6,9,19H,7-8H2

InChIKey

VSKFJSHIZUMHBI-UHFFFAOYSA-N

Smiles

c1ccnc(c1)S(=O)CCn2c3ccc(cc3sc2=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,