2-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one

• CAT Number: R030725
• CAS Number: 3159-04-4
• Molecular Formula: C13H8ClNOS
• Molecular Weight: 261.723
• Purity: ≥95%
• Storage: Room temperature
• IUPAC Name: 8-chloro-5H-benzo[b][1,4]benzothiazepin-6-one
• InChI: InChI=1S/C13H8ClNOS/c14-8-5-6-11-9(7-8)13(16)15-10-3-1-2-4-12(10)17-11/h1-7H,(H,15,16)
• InChIKey: UHOLKGDSZJQEEB-UHFFFAOYSA-N
• SMILES: C1=CC=C2C(=C1)NC(=O)C3=C(S2)C=CC(=C3)Cl

2-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one is a heterocyclic compound featuring a dibenzothiazepine core with a chlorine atom at the 2-position. It is commonly used as an intermediate in the synthesis of pharmaceutical agents, particularly those targeting the central nervous system. This compound’s unique structure serves as a scaffold for the development of antipsychotic and anxiolytic drugs. The thiazepine ring imparts biological activity, making it valuable in medicinal chemistry for creating molecules with receptor affinity and therapeutic potential. Its versatility in drug development has made it a key component in producing compounds for mental health treatments.