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Substance Name: 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-methyl-4-oxo-, methyl ester
RN: 86628-22-0
InChIKey: FCJUUBGDCQAWJG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-O3-S

Molecular Weight

  • 250.3166
 
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Names and Synonyms

Synonyms

  • BRN 4473958
  • Methyl 6-methyl-1-thio-4-chromanone-2-acetate

Systematic Name

  • 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-methyl-4-oxo-, methyl ester

Registry Numbers

CAS Registry Number

  • 86628-22-0

System Generated Number

  • 0086628220

Structure Descriptors

InChI

1S/C13H14O3S/c1-8-3-4-12-10(5-8)11(14)6-9(17-12)7-13(15)16-2/h3-5,9H,6-7H2,1-2H3

InChIKey

FCJUUBGDCQAWJG-UHFFFAOYSA-N

Smiles

Cc1ccc2c(c1)C(=O)CC(S2)CC(=O)OC

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.