Saccharin
TL;DR: Saccharin (CAS 81-07-2) is a chemical compound with molecular formula C7H5NO3S and molecular weight 182.99901 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: saccharin, Saccharine, o-Sulfobenzimide, o-Benzoic sulfimide, Saccharimide
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5NO3S |
| Molecular Weight | 182.99901 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.99901 Da |
| Heavy Atoms | 12 |
| Complexity | 303.0 |
| Melting Point | 444 °F (decomposes) (NTP, 1992) |
| Boiling Point | Sublimes (NTP, 1992) |
| Density | 0.828 (NTP, 1992) - Less dense than water; will float |
| Vapor Pressure | 0.00000064 [mmHg] |
| Solubility | greater than or equal to 100 mg/mL at 75 °F (NTP, 1992) |
| SMILES | C1=CC=C2C(=C1)C(=O)NS2(=O)=O |
| InChIKey | CVHZOJJKTDOEJC-UHFFFAOYSA-N |
Product Description
Applications: Saccharin 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 Saccharin (CAS 81-07-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Saccharin is a pharmaceutical intermediate identified by CAS number 81-07-2 and the molecular formula C7H5NO3S and a molecular weight of 183 g/mol. Physically, the compound has a density of 0.828 (NTP, 1992) - Less dense than water; will float g/cm³, a solubility: greater than or equal to 100 mg/mL at 75 °F (NTP, 1992). It is also known as saccharin and Saccharine.
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 Saccharin
Property Insights of Saccharin
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Saccharin. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Saccharin. Following Lipinski's Rule of Five, Saccharin has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Saccharin?
The CAS number of Saccharin is 81-07-2.
What is the molecular formula of Saccharin?
The molecular formula of Saccharin is C7H5NO3S.
What is the molecular weight of Saccharin?
The molecular weight of Saccharin is 182.99901 g/mol.
What are the applications of Saccharin?
Saccharin 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 Saccharin (CAS 81-07-2) with custom synthesis...
Where can I buy Saccharin?
You can request a quote for Saccharin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Saccharin?
Yes, CoreyChem provides custom synthesis services for Saccharin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.