Benzthiazide
TL;DR: Benzthiazide (CAS 91-33-8) is a chemical compound with molecular formula C15H14ClN3O4S3 and molecular weight 430.9835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
Also Known As: benzthiazide, Benzothiazide, Aquatag, Fovane, Exna
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H14ClN3O4S3 |
| Molecular Weight | 430.9835 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.9835 Da |
| Heavy Atoms | 26 |
| Complexity | 739.0 |
| Melting Point | 210-211 |
| Solubility | 8.91 |
| SMILES | C1=CC=C(C=C1)CSCC2=NS(=O)(=O)C3=CC(=C(C=C3N2)Cl)S(=O)(=O)N |
| InChIKey | NDTSRXAMMQDVSW-UHFFFAOYSA-N |
Product Description
Applications: Benzthiazide is used in biotechnology workflows and life-science research, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Benzthiazide (CAS 91-33-8) is a biotechnology compound with the molecular formula C15H14ClN3O4S3 and a molecular weight of 430.98 g/mol. Key physical properties include a solubility: 8.91. Synonyms include benzthiazide and Benzothiazide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzthiazide
Property Insights of Benzthiazide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzthiazide. The TPSA of 161.0 Ų indicates high polarity, suggesting Benzthiazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzthiazide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzthiazide?
The CAS number of Benzthiazide is 91-33-8.
What is the molecular formula of Benzthiazide?
The molecular formula of Benzthiazide is C15H14ClN3O4S3.
What is the molecular weight of Benzthiazide?
The molecular weight of Benzthiazide is 430.9835 g/mol.
What are the applications of Benzthiazide?
Benzthiazide is used in biotechnology workflows and life-science research, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton...
Where can I buy Benzthiazide?
You can request a quote for Benzthiazide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzthiazide?
Yes, CoreyChem provides custom synthesis services for Benzthiazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.