4,5,6,7-Tetrahydro-2-(1H-Pyrrol-1-Yl)-Benzo[b]Thiophene-3-Carboxylicacid
[CAS# 26176-21-6]

Identification

• Name: 4,5,6,7-Tetrahydro-2-(1H-Pyrrol-1-Yl)-Benzo[b]Thiophene-3-Carboxylicacid
• Molecular Formula: C₁₃H₁₂NO₂S
• Molecular Weight: 246.30
• CAS Registry Number: 26176-21-6
• SMILES: C1=C[N](C=C1)C2=C(C3=C(S2)CCCC3)C(=O)[O-]
• InChI: 1S/C13H13NO2S/c15-13(16)11-9-5-1-2-6-10(9)17-12(11)14-7-3-4-8-14/h3-4,7-8H,1-2,5-6H2,(H,15,16)/p-1
• InChIKey: PQZRKVPZZLXACN-UHFFFAOYSA-M

Properties

• Boiling point: 460.018°C at 760 mmHg (Cal.)
• Flash point: 232.011°C (Cal.)