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Substance Name: 4,7-Epoxybenzo(c)thiophene-5-acetonitrile, octahydro-1,3-dioxo-, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-
RN: 127311-94-8
InChIKey: HXEYQZSAFYJJTA-PVFLNQBWSA-N

Molecular Formula

  • C10-H9-N-O3-S

Molecular Weight

  • 223.2511
 
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Names and Synonyms

Synonym

  • 5-endo-(Cyanomethyl)endothall thioanhydride

Systematic Name

  • 4,7-Epoxybenzo(c)thiophene-5-acetonitrile, octahydro-1,3-dioxo-, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-

Registry Numbers

CAS Registry Number

  • 127311-94-8

System Generated Number

  • 0127311948

Structure Descriptors

InChI

1S/C10H9NO3S/c11-2-1-4-3-5-6-7(8(4)14-5)10(13)15-9(6)12/h4-8H,1,3H2/t4-,5-,6-,7-,8+/m1/s1

InChIKey

HXEYQZSAFYJJTA-PVFLNQBWSA-N

Smiles

C1[C@H]([C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)SC3=O)CC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 23mg/kg (23mg/kg)   Chemical Research in Toxicology. Vol. 3, Pg. 318, 1990.