3-(1H-Tetrazol-5-yl)-9H-thioxanthen-9-one 10,10-dioxide monohydrate

• CAT Number: M003282
• CAS Number: 56030-55-8
• Molecular Formula: C14H10N4O4S
• Molecular Weight: 330.318
• Purity: ≥95%
• Synonyms: 3-(1H-TETRAZOL-5-YL)-9H-THIOXANTHEN-9-O
• Storage: Store at -20°C
• IUPAC Name: 10,10-dioxo-3-(2H-tetrazol-5-yl)thioxanthen-9-one;hydrate
• InChI: InChI=1S/C14H8N4O3S.H2O/c19-13-9-3-1-2-4-11(9)22(20,21)12-7-8(5-6-10(12)13)14-15-17-18-16-14;/h1-7H,(H,15,16,17,18);1H2
• InChIKey: YRXFSKFCFQRWHG-UHFFFAOYSA-N
• SMILES: C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C4=NNN=N4.O

3-(1H-Tetrazol-5-yl)-9H-thioxanthen-9-one 10,10-dioxide monohydrate is a heterocyclic compound that combines a tetrazole ring and a thioxanthone core with a 10,10-dioxide substitution. The monohydrate form indicates the presence of one water molecule per molecule of the compound. This structure is significant in medicinal chemistry due to potential biological activities, including anti-inflammatory and antitumor properties. The tetrazole group can enhance binding affinity in drug design, while the thioxanthone core contributes to its reactivity in developing novel pharmaceutical agents.