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Substance Name: 3-Thiophenacetic acid
RN: 6964-21-2
UNII: 3B235D2C4J
InChIKey: RCNOGGGBSSVMAS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H6-O2-S

Molecular Weight

  • 142.177
 
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Names and Synonyms

Name of Substance

  • 3-Thiophenacetic acid

Synonyms

  • 3-Thienylacetic acid
  • 3-Thiopheneethanoic acid
  • 4-18-00-04066 (Beilstein Handbook Reference)
  • BRN 0113622
  • EINECS 230-166-1
  • NSC 66315
  • UNII-3B235D2C4J

Systematic Names

  • 3-Thienylacetic acid
  • 3-Thiopheneacetic acid

Registry Numbers

CAS Registry Number

  • 6964-21-2

FDA UNII

  • 3B235D2C4J

System Generated Number

  • 0006964212

Structure Descriptors

InChI

1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)

InChIKey

RCNOGGGBSSVMAS-UHFFFAOYSA-N

Smiles

c1(ccsc1)CC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 985mg/kg (985mg/kg)   Therapie. Vol. 26, Pg. 831, 1971.