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Substance Name: 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro-
RN: 129679-48-7
InChIKey: GQQGPYKAUJJCBG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H8-O2-S2

Molecular Weight

  • 248.3252
 
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Names and Synonyms

Synonym

  • 5,6-Benzobis-thiololactone

Systematic Name

  • 5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro-

Registry Numbers

CAS Registry Number

  • 129679-48-7

System Generated Number

  • 0129679487

Structure Descriptors

InChI

1S/C12H8O2S2/c13-11-7-8-10(16-11)6-4-2-1-3-5(6)9(7)15-12(8)14/h1-4,7-10H

InChIKey

GQQGPYKAUJJCBG-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C3C4C(C2SC4=O)C(=O)S3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 50mg/kg (50mg/kg)   Chemical Research in Toxicology. Vol. 3, Pg. 453, 1990.