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Substance Name: 2(3H)-Benzothiazolimine, 3-(2-(2-pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-
RN: 130997-74-9
InChIKey: MJMCEVSNTSUYHO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H11-F3-N4-O2-S2

Molecular Weight

  • 388.3929
 
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Names and Synonyms

Synonyms

  • 2-Imino-3-(2-(2-pyrimidinylsulphinyl)ethyl)-6-trifluoromethoxybenzothiazoline
  • 3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 130997-74-9

System Generated Number

  • 0130997749

Structure Descriptors

InChI

1S/C14H11F3N4O2S2/c15-14(16,17)23-9-2-3-10-11(8-9)24-12(18)21(10)6-7-25(22)13-19-4-1-5-20-13/h1-5,8,18H,6-7H2

InChIKey

MJMCEVSNTSUYHO-UHFFFAOYSA-N

Smiles

c1cnc(nc1)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,