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Substance Name: 2-Acetylthiophene
RN: 88-15-3
UNII: 5ASO208T20
InChIKey: WYJOVVXUZNRJQY-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-O-S

Molecular Weight

  • 126.178
 
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Names and Synonyms

Name of Substance

  • 2-Acetylthiophene

Synonyms

  • 1-(2-Thienyl)ethanone
  • 2-Acetothienone
  • 2-Acetothiophene
  • 2-Acetylthiophene
  • 2-Thienyl methyl ketone
  • 5-17-09-00387 (Beilstein Handbook Reference)
  • AI3-08491
  • alpha-Acetylthiophene
  • BRN 0107910
  • EINECS 201-804-6
  • Methyl 2-thienyl ketone
  • NSC 2345
  • UNII-5ASO208T20

Systematic Names

  • Ethanone, 1-(2-thienyl)-
  • Ketone, methyl 2-thienyl
  • Methyl 2-thienyl ketone

Registry Numbers

CAS Registry Number

  • 88-15-3

FDA UNII

  • 5ASO208T20

System Generated Number

  • 0000088153

Structure Descriptors

InChI

1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3

InChIKey

WYJOVVXUZNRJQY-UHFFFAOYSA-N

Smiles

c1(C(C)=O)cccs1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 40mg/kg (40mg/kg)   National Technical Information Service. Vol. AD691-490,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 10.5 deg C   EXP
Boiling Point 213.5 deg C   EXP
log P (octanol-water) 1.25 (none)   EXP
Water Solubility 1.40E+04 mg/L 30 EXP
Vapor Pressure 0.365 mm Hg 25 EST
Henry's Law Constant 5.33E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.79E-12 cm3/molecule-sec 25 EST

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