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Substance Name: Benzo(b)thiophene-3-acetic acid, 5-methyl-
RN: 1735-12-2
InChIKey: KYZMXUFJGWTSOX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H10-O2-S

Molecular Weight

  • 206.264
 
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Names and Synonyms

Synonyms

  • 5-18-06-00472 (Beilstein Handbook Reference)
  • 5-Methylbenzo(b)thiophene-3-acetic acid
  • BRN 1243408

Systematic Name

  • Benzo(b)thiophene-3-acetic acid, 5-methyl-

Registry Numbers

CAS Registry Number

  • 1735-12-2

System Generated Number

  • 0001735122

Structure Descriptors

InChI

1S/C11H10O2S/c1-7-2-3-10-9(4-7)8(6-14-10)5-11(12)13/h2-4,6H,5H2,1H3,(H,12,13)

InChIKey

KYZMXUFJGWTSOX-UHFFFAOYSA-N

Smiles

c1c(C)cc2c(csc2c1)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of the Chemical Society, Section C: Organic. Vol. (12), Pg. 1612, 1969.