Chlorothiazide
TL;DR: Chlorothiazide (CAS 58-94-6) is a chemical compound with molecular formula C7H6ClN3O4S2 and molecular weight 294.94882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
Also Known As: chlorothiazide, Diuril, Chlorthiazide, Chlorothiazid, Chlotride
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6ClN3O4S2 |
| Molecular Weight | 294.94882 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.94882 Da |
| Heavy Atoms | 17 |
| Complexity | 532.0 |
| Melting Point | 648 to 649 °F (Decomposes) (NTP, 1992) |
| Solubility | less than 1 mg/mL at 67.1 °F (NTP, 1992) |
| SMILES | C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2 |
| InChIKey | JBMKAUGHUNFTOL-UHFFFAOYSA-N |
Product Description
Applications: Chlorothiazide is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Chlorothiazide (CAS 58-94-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Chlorothiazide is a pharmaceutical intermediate identified by CAS number 58-94-6 and the molecular formula C7H6ClN3O4S2 and a molecular weight of 294.95 g/mol. Physically, the compound has a solubility: less than 1 mg/mL at 67.1 °F (NTP, 1992). It is also known as chlorothiazide and Diuril.
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 Chlorothiazide
Property Insights of Chlorothiazide
The XLogP value of -0.2 indicates that Chlorothiazide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlorothiazide. Following Lipinski's Rule of Five, Chlorothiazide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Chlorothiazide?
The CAS number of Chlorothiazide is 58-94-6.
What is the molecular formula of Chlorothiazide?
The molecular formula of Chlorothiazide is C7H6ClN3O4S2.
What is the molecular weight of Chlorothiazide?
The molecular weight of Chlorothiazide is 294.94882 g/mol.
What are the applications of Chlorothiazide?
Chlorothiazide is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Chlorothiazide (CAS 58-94-6) with custom...
Where can I buy Chlorothiazide?
You can request a quote for Chlorothiazide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chlorothiazide?
Yes, CoreyChem provides custom synthesis services for Chlorothiazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.