5-Propyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
[CAS# 667436-13-7]

Identification

• Name: 5-Propyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
• Synonyms: 5-propyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid; 5-propyl-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid
• Molecular Formula: C₁₂H₁₆O₂S
• Molecular Weight: 224.32
• CAS Registry Number: 667436-13-7
• SMILES: O=C(O)c1sc2c(c1)CC(CC2)CCC
• InChI: 1S/C12H16O2S/c1-2-3-8-4-5-10-9(6-8)7-11(15-10)12(13)14/h7-8H,2-6H2,1H3,(H,13,14)
• InChIKey: MEDWTNRKBDWLPG-UHFFFAOYSA-N

Properties

• Density: 1.166g/cm³ (Cal.)
• Boiling point: 386.162°C at 760 mmHg (Cal.)
• Flash point: 187.344°C (Cal.)
• Refractive index: 1.561 (Cal.)