2-Acetamido-5,6,7,8-Tetrahydro-4H-Cyclohepta[b]Thiophene-3-Carboxylic Acid
[CAS# 63826-34-6]

Identification

• Name: 2-Acetamido-5,6,7,8-Tetrahydro-4H-Cyclohepta[b]Thiophene-3-Carboxylic Acid
• Synonyms: 2-(acetylamino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylic ac id; 2-(acetylamino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxylic acid; 2-(acetylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
• Molecular Formula: C₁₂H₁₅NO₃S
• Molecular Weight: 253.32
• CAS Registry Number: 63826-34-6
• SMILES: O=C(O)c1c2c(sc1NC(=O)C)CCCCC2
• InChI: 1S/C12H15NO3S/c1-7(14)13-11-10(12(15)16)8-5-3-2-4-6-9(8)17-11/h2-6H2,1H3,(H,13,14)(H,15,16)
• InChIKey: DEDWHJVDTMELPW-UHFFFAOYSA-N

Properties

• Density: 1.34g/cm³ (Cal.)
• Boiling point: 493.957°C at 760 mmHg (Cal.)
• Flash point: 252.536°C (Cal.)