Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a-methyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-
RN: 127311-83-5
InChIKey: OPYUMCPVGZEXMD-OLHMAJIHSA-N

Molecular Formula

  • C9-H10-O3-S

Molecular Weight

  • 198.241
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 3a-Methyl-4,7-hexahydroepoxybenzo(c)thiophene-1,3-dione (3a-alpha,4-beta,7-beta,7a-alpha)-

Systematic Name

  • 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a-methyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-

Registry Numbers

CAS Registry Number

  • 127311-83-5

System Generated Number

  • 0127311835

Structure Descriptors

InChI

1S/C9H10O3S/c1-9-5-3-2-4(12-5)6(9)7(10)13-8(9)11/h4-6H,2-3H2,1H3/t4-,5+,6+,9+/m1/s1

InChIKey

OPYUMCPVGZEXMD-OLHMAJIHSA-N

Smiles

C[C@]12[C@@H]3CC[C@H]([C@H]1C(=O)SC2=O)O3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1300ug/kg (1.3mg/kg)   Chemical Research in Toxicology. Vol. 3, Pg. 318, 1990.