3-(2,5-Dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-2-thiophenecarboxylic acid
[CAS# 690990-60-4]

Identification

• Name: 3-(2,5-Dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-2-thiophenecarboxylic acid
• Synonyms: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-2-thiophenecarboxylic acid; 3-(2,5-Dimethyl-pyrrol-1-yl)-4,5-dimethyl-thiophene-2-carboxylic acid; 3-(2,5-dimethylpyrrolyl)-4,5-dimethylthiophene-2-carboxylic acid
• Molecular Formula: C₁₃H₁₅NO₂S
• Molecular Weight: 249.33
• CAS Registry Number: 690990-60-4
• SMILES: O=C(O)c2sc(c(c2n1c(ccc1C)C)C)C
• InChI: 1S/C13H15NO2S/c1-7-5-6-8(2)14(7)11-9(3)10(4)17-12(11)13(15)16/h5-6H,1-4H3,(H,15,16)
• InChIKey: FJEQPPDVCVKRQF-UHFFFAOYSA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 427.248°C at 760 mmHg (Cal.)
• Flash point: 212.192°C (Cal.)
• Refractive index: 1.613 (Cal.)