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Substance Name: 2-Acetyl-5-methylthiophene
RN: 13679-74-8
UNII: 2HS3I278W9
InChIKey: YOSDTJYMDAEEAZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H8-O-S

Molecular Weight

  • 140.205
 
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Names and Synonyms

Name of Substance

  • 2-Acetyl-5-methylthiophene

Synonyms

  • 5-17-09-00425 (Beilstein Handbook Reference)
  • AI3-15900
  • BRN 0110854
  • EINECS 237-181-2
  • Ethanone, 1-(5-methyl-2-thienyl)-
  • Methylthienylcetone
  • Methylthienylcetone [French]
  • UNII-2HS3I278W9

Systematic Names

  • 1-(5-Methyl-2-thienyl)ethan-1-one
  • Ethanone, 1-(5-methyl-2-thienyl)-
  • Ketone, methyl 5-methyl-2-thienyl

Registry Numbers

CAS Registry Number

  • 13679-74-8

FDA UNII

  • 2HS3I278W9

System Generated Number

  • 0013679748

Structure Descriptors

InChI

1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3

InChIKey

YOSDTJYMDAEEAZ-UHFFFAOYSA-N

Smiles

c1(sc(C)cc1)C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 230mg/kg (230mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 27.5 deg C   EXP
Boiling Point 232.5 deg C   EXP
log P (octanol-water) 2.040 (none)   EST
Atmospheric OH Rate Constant 2.29E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.