7-Methyl-1,1-Dioxo-3,5-Dihydro-2H-Benzo[b][1,4]Thiazepin-4-One
[CAS# 3648-94-0]

Identification

• Name: 7-Methyl-1,1-Dioxo-3,5-Dihydro-2H-Benzo[b][1,4]Thiazepin-4-One
• Synonyms: 1,1-Diketo-7-Methyl-3,5-Dihydro-2H-Benzo[B][1,4]Thiazepin-4-One; Brn 0984428; 1,5-Benzothiazepin-4(5H)One, 2,3-Dihydro-7-Methyl-, 1,1-Dioxide
• Molecular Formula: C₁₀H₁₁NO₃S
• Molecular Weight: 225.26
• CAS Registry Number: 3648-94-0
• SMILES: C2=C1[S](=O)(=O)CCC(=O)NC1=CC(=C2)C
• InChI: 1S/C10H11NO3S/c1-7-2-3-9-8(6-7)11-10(12)4-5-15(9,13)14/h2-3,6H,4-5H2,1H3,(H,11,12)
• InChIKey: GASHTLYMYMLZPZ-UHFFFAOYSA-N

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 492.746°C at 760 mmHg (Cal.)
• Flash point: 251.804°C (Cal.)