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Substance Name: 1-Benzothiopyrylium, 2-phenyl-, perchlorate
RN: 22956-28-1
InChIKey: HQFFYEIYLBCARH-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H11-S.Cl-O4

Molecular Weight

  • 322.7669
 
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Names and Synonyms

Synonym

  • 2-Phenyl-1-benzothiopyrylium perchlorate

Systematic Name

  • 1-Benzothiopyrylium, 2-phenyl-, perchlorate

Registry Numbers

CAS Registry Number

  • 22956-28-1

System Generated Number

  • 0022956281

Molecular Formulas

Molecular Formula

  • C15-H11-S.Cl-O4

Molecular Formula Fragments

  • C15-H11-S
  • Cl-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H11S.ClHO4/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;2-1(3,4)5/h1-11H;(H,2,3,4,5)/q+1;/p-1

InChIKey

HQFFYEIYLBCARH-UHFFFAOYSA-M

Smiles

c1ccc(cc1)c2ccc3ccccc3[s+]2.[O-]Cl(=O)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 220mg/kg (220mg/kg)   Journal of Heterocyclic Chemistry. Vol. 21, Pg. 193, 1984.
mouse LD50 oral 870mg/kg (870mg/kg)   Journal of Heterocyclic Chemistry. Vol. 21, Pg. 193, 1984.