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Substance Name: p-Benzoquinone, 2,5-bis(phenylthio)-
RN: 17058-53-6
InChIKey: CQBMMTIVMOJHSO-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C18-H12-O2-S2

Molecular Weight

  • 324.4228
 
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Names and Synonyms

Synonyms

  • 2,5-Bis(phenylthio)-p-benzoquinone
  • 2,5-Bis(phenylthio)benzoquinone
  • 3-08-00-03353 (Beilstein Handbook Reference)
  • BRN 3367850
  • NSC 406552
  • USAF PD-18

Systematic Names

  • 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(phenylthio)- (9CI)
  • p-Benzoquinone, 2,5-bis(phenylthio)-

Registry Numbers

CAS Registry Number

  • 17058-53-6

System Generated Number

  • 0017058536

Structure Descriptors

InChI

1S/C18H12O2S2/c19-15-12-18(22-14-9-5-2-6-10-14)16(20)11-17(15)21-13-7-3-1-4-8-13/h1-12H

InChIKey

CQBMMTIVMOJHSO-UHFFFAOYSA-N

Smiles

c1ccc(cc1)SC2=CC(=O)C(=CC2=O)Sc3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,