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Substance Name: 2-Thiophenecarboxylic acid
RN: 527-72-0
UNII: 3FD00JX53J
InChIKey: QERYCTSHXKAMIS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H4-O2-S

Molecular Weight

  • 128.151
 
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Names and Synonyms

Name of Substance

  • 2-Thiophenecarboxylic acid
  • Thiophene-2-carboxylate

Synonyms

  • 2-Carboxythiophene
  • 2-TCA
  • 2-Thenoic acid
  • 2-Thienylcarboxylic acid
  • 2-Thiophenic acid
  • 5-18-06-00158 (Beilstein Handbook Reference)
  • AI3-16118
  • alpha-Thiophenecarboxylic acid
  • BRN 0110150
  • EINECS 208-423-4
  • NSC 2188
  • UNII-3FD00JX53J

Systematic Names

  • 2-Thenoic acid
  • 2-Thiophenecarboxylic acid

Registry Numbers

CAS Registry Number

  • 527-72-0

FDA UNII

  • 3FD00JX53J

Related Registry Number

  • 25112-68-9 (hydrochloride salt)

System Generated Number

  • 0000527720

Structure Descriptors

InChI

1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)

InChIKey

QERYCTSHXKAMIS-UHFFFAOYSA-N

Smiles

c1(C(O)=O)cccs1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1670mg/kg (1670mg/kg)   Therapie. Vol. 26, Pg. 831, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 129.5 deg C   EXP
log P (octanol-water) 1.57 (none)   EXP
Water Solubility 7500 mg/L 25 EXP
Vapor Pressure 7.80E-03 mm Hg 25 EST
Henry's Law Constant 5.89E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.05E-12 cm3/molecule-sec 25 EST

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