5-Methylthiophene-3-carboxylic acid

CAS: 19156-50-4

Ref. 3D-FM112784

Product Information

• Name: 5-Methylthiophene-3-carboxylic acid
• Synonyms: 2-Methyl-4-thiophenecarboxylic acid, 3-Thiophenecarboxylic acid, 5-methyl-, 5-Methyl-3-thiophenecarboxylic acid, Brn 0002475

Description

5-Methylthiophene-3-carboxylic acid is a metabolite of 2,4,6-trinitrotoluene (TNT) which has been detected in the urine of workers exposed to TNT. It is a white crystalline solid that can be obtained by reacting methylthiophene with sulfuric acid. 5-Methylthiophene-3-carboxylic acid is used as an analytical standard for monitoring environmental pollution. The structural isomers are monitored using electron ionization and electron impact spectrometers. The chemical fingerprinting technique can be used to identify the source and origin of the compounds.

• Brand: Biosynth

Chemical properties

• Molecular weight: 142.18 g/mol
• Formula: C₆H₆O₂S
• Purity: Min. 95%
• InChI: InChI=1S/C6H6O2S/c1-4-2-5(3-9-4)6(7)8/h2-3H,1H3,(H,7,8)
• InChI key: InChIKey=VFORWJLUXKGLAH-UHFFFAOYSA-N
• SMILES: Cc1cc(C(=O)O)cs1