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Substance Name: 2,6-Epoxy(2)benzothieno(5,6-b)oxirene-3,5-dione, hexahydro-, (1a-alpha,2-beta,2a-alpha,5a-alpha,6-beta,6a-alpha)-
RN: 127311-87-9
InChIKey: JBQLUJNOBUHWSZ-ZAMCYODWSA-N

Molecular Formula

  • C8-H6-O4-S

Molecular Weight

  • 200.2132
 
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Names and Synonyms

Synonym

  • 5,6-exo-Epoxyendothall thioanhydride

Systematic Name

  • 2,6-Epoxy(2)benzothieno(5,6-b)oxirene-3,5-dione, hexahydro-, (1a-alpha,2-beta,2a-alpha,5a-alpha,6-beta,6a-alpha)-

Registry Numbers

CAS Registry Number

  • 127311-87-9

System Generated Number

  • 0127311879

Structure Descriptors

InChI

1S/C8H8O4S/c9-2-1-13(10)8-3(2)4-5-6(12-5)7(8)11-4/h3-8H,1H2/t3-,4+,5+,6+,7+,8-,13?/m1/s1

InChIKey

JBQLUJNOBUHWSZ-ZAMCYODWSA-N

Smiles

C1C(=O)[C@@H]2[C@H]3[C@H]4[C@H](O4)[C@@H]([C@@H]2S1=O)O3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Chemical Research in Toxicology. Vol. 3, Pg. 318, 1990.