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Substance Name: 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo-, methyl ester
RN: 86628-20-8
InChIKey: XZAAMLFANSJUSO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-O3-S

Molecular Weight

  • 236.2898
 
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Names and Synonyms

Synonyms

  • BRN 4462248
  • Methyl 3,4-dihydro-4-oxo-2H-1-benzothiopyran-2-acetate

Systematic Name

  • 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo-, methyl ester

Registry Numbers

CAS Registry Number

  • 86628-20-8

System Generated Number

  • 0086628208

Structure Descriptors

InChI

1S/C12H12O3S/c1-15-12(14)7-8-6-10(13)9-4-2-3-5-11(9)16-8/h2-5,8H,6-7H2,1H3

InChIKey

XZAAMLFANSJUSO-UHFFFAOYSA-N

Smiles

COC(=O)CC1CC(=O)c2ccccc2S1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 300, 1983.