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Substance Name: 3-Acetyl-2,5-dimethylthiophene
RN: 2530-10-1
UNII: VDV865T91P
InChIKey: PUSJAEJRDNPYKM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H10-O-S

Molecular Weight

  • 154.232
 
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Names and Synonyms

Name of Substance

  • 3-Acetyl-2,5-dimethylthiophene

Synonyms

  • 1-(2,5-Dimethyl-3-thienyl)ethanone
  • 2,5-Dimethyl-3-acetylthiophene
  • 2,5-Dimethyl-3-thienyl methyl ketone
  • 3-Acetyl-2,5-dimethyl thiophene
  • 3-Acetyl-2,5-dimethylthiophene
  • 5-17-09-00444 (Beilstein Handbook Reference)
  • BRN 0112095
  • Dimethylthienylcetone
  • Dimethylthienylcetone [French]
  • EINECS 219-779-5
  • Ethanone, 1-(2,5-dimethyl-3-thienyl)-
  • FEMA No. 3527
  • Ketone, 2,5-dimethyl-3-thienyl methyl
  • UNII-VDV865T91P

Systematic Names

  • 2,5-Dimethylthiophen-3-yl methyl ketone
  • Ethanone, 1-(2,5-dimethyl-3-thienyl)-
  • Ketone, 2,5-dimethyl-3-thienyl methyl

Superlist Name

  • 3-Acetyl-2,5-dimethylthiophene

Registry Numbers

CAS Registry Number

  • 2530-10-1

FDA UNII

  • VDV865T91P

System Generated Number

  • 0002530101

Structure Descriptors

InChI

1S/C8H10OS/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3

InChIKey

PUSJAEJRDNPYKM-UHFFFAOYSA-N

Smiles

C(=O)(c1c(sc(c1)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 260mg/kg (260mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Annales Pharmaceutiques Francaises. Vol. 5, Pg. 16, 1947.