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Substance Name: 1H-Benzotriazole, 1-(5-phenylthieno(2,3-d)isothiazol-3-yl)-, S(sup 1),S(sup 1)-dioxide
RN: 113412-71-8
InChIKey: DHADUOSCVDGLAA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H10-N4-O2-S2

Molecular Weight

  • 366.424
 
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Names and Synonyms

Synonyms

  • 1-(5-Phenylthieno(2,3-d)isothiazol-3-yl)-1H-benzotriazole S(sup 1),S(sup 1)-dioxide
  • BRN 5999663

Systematic Name

  • 1H-Benzotriazole, 1-(5-phenylthieno(2,3-d)isothiazol-3-yl)-, S(sup 1),S(sup 1)-dioxide

Registry Numbers

CAS Registry Number

  • 113412-71-8

System Generated Number

  • 0113412718

Structure Descriptors

InChI

1S/C17H10N4O2S2/c22-25(23)15-10-14(11-6-2-1-3-7-11)24-16(15)17(19-25)21-13-9-5-4-8-12(13)18-20-21/h1-10H

InChIKey

DHADUOSCVDGLAA-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2cc3c(s2)C(=NS3(=O)=O)n4c5ccccc5nn4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 329, 1988.