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Substance Name: Methyl 3-thienyl ketone
RN: 1468-83-3
InChIKey: RNIDWJDZNNVFDY-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-O-S

Molecular Weight

  • 126.178
 
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Names and Synonyms

Synonyms

  • 3-Acetylthiophene
  • EINECS 215-996-4

Systematic Names

  • Ethanone, 1-(3-thienyl)-
  • Methyl 3-thienyl ketone

Registry Numbers

CAS Registry Number

  • 1468-83-3

System Generated Number

  • 0001468833

Structure Descriptors

InChI

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

InChIKey

RNIDWJDZNNVFDY-UHFFFAOYSA-N

Smiles

c1(C(C)=O)ccsc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 60 deg C   EXP
Boiling Point 210 deg C   EXP
log P (octanol-water) 1.24 (none)   EXP
Water Solubility 8310 mg/L 25 EST
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.