5-tert-Butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
[CAS# 126231-22-9]

Identification

• Name: 5-tert-Butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
• Molecular Formula: C₁₃H₁₇O₂S
• Molecular Weight: 237.34
• CAS Registry Number: 126231-22-9
• SMILES: [C@@H]2(C(C)(C)C)CC1=C(SC(=C1)C([O-])=O)CC2
• InChI: 1S/C13H18O2S/c1-13(2,3)9-4-5-10-8(6-9)7-11(16-10)12(14)15/h7,9H,4-6H2,1-3H3,(H,14,15)/p-1/t9-/m0/s1
• InChIKey: VDSYCTWGBTXSEX-VIFPVBQESA-M

Properties

• Boiling point: 382.552°C at 760 mmHg (Cal.)
• Flash point: 185.161°C (Cal.)