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Substance Name: Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)-
RN: 129602-93-3
InChIKey: ROMJDXPPIZDMLO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-O2-S

Molecular Weight

  • 224.3224
 
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Names and Synonyms

Synonyms

  • 2-(4-(2-Propylthio)phenyl)propionic acid
  • alpha-Methyl-4-((1-methylethyl)thio)benzeneacetic acid
  • BRN 4182751
  • VUFB-16603

Systematic Name

  • Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)-

Registry Numbers

CAS Registry Number

  • 129602-93-3

System Generated Number

  • 0129602933

Structure Descriptors

InChI

1S/C12H16O2S/c1-8(2)15-11-6-4-10(5-7-11)9(3)12(13)14/h4-9H,1-3H3,(H,13,14)

InChIKey

ROMJDXPPIZDMLO-UHFFFAOYSA-N

Smiles

CC(C)Sc1ccc(cc1)C(C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2240mg/kg (2240mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1266, 1990.