11-Chloro-dibenzo[b,f][1,4]thiazepine

• CAT Number: M059676
• CAS Number: 13745-86-3
• Molecular Formula: C13H8ClNS
• Molecular Weight: 245.72
• Purity: ≥95%
• Synonyms: Dibenzo[b,f][1,4]thiazepine, 11-chloro-; 6-chlorobenzo[b][1,4]benzothiazepine
• Storage: Desiccate at RT
• IUPAC Name: 6-chlorobenzo[b][1,4]benzothiazepine
• InChI: InChI=1S/C13H8ClNS/c14-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)15-13/h1-8H
• InChIKey: ZFOZNNFYECYUQB-UHFFFAOYSA-N
• SMILES: C1=CC=C2C(=C1)C(=NC3=CC=CC=C3S2)Cl

11-Chloro-dibenzo[b,f][1,4]thiazepine(CAT: M059676) is a tricyclic heterocyclic compound with the molecular formula C₁₃H₈ClNS. It features a dibenzothiazepine core structure substituted with a chlorine atom at the 11-position, contributing to its reactivity and potential bioactivity. This compound serves as a key intermediate in the synthesis of pharmaceutical agents, particularly psychoactive drugs and antipsychotics such as clozapine and its analogs. The rigid, fused-ring system offers a favorable scaffold for targeting central nervous system receptors. Typically supplied as a crystalline solid, 11-Chloro-dibenzo[b,f][1,4]thiazepine is used in medicinal chemistry and drug discovery research for the development of tricyclic therapeutic agents.