2-(2,5-Dimethyl-1H-Pyrrol-1-Yl)-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxylic Acid
[CAS# 433245-13-7]

Identification

• Name: 2-(2,5-Dimethyl-1H-Pyrrol-1-Yl)-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxylic Acid
• Synonyms: 2-(2,5-Dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydro-be; 2-(2,5-Dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydro-benzo[ b ]thiophene-3-carboxylic acid; 2-(2,5-DIMETHYL-PYRROL-1-YL)-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID
• Molecular Formula: C₁₅H₁₇NO₂S
• Molecular Weight: 275.37
• CAS Registry Number: 433245-13-7
• SMILES: CC1=CC=C(N1C2=C(C3=C(S2)CCCC3)C(=O)O)C
• InChI: 1S/C15H17NO2S/c1-9-7-8-10(2)16(9)14-13(15(17)18)11-5-3-4-6-12(11)19-14/h7-8H,3-6H2,1-2H3,(H,17,18)
• InChIKey: SJKZSURXGGPPSD-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 481.6±45.0°C at 760 mmHg (Cal.)
• Flash point: 245.1±28.7°C (Cal.)
• Refractive index: 1.669 (Cal.)