糖精
TL;DR: 糖精 (CAS 81-07-2) is a chemical compound with molecular formula C7H5NO3S and molecular weight 183.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
糖精
1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: saccharin, Saccharine, o-Sulfobenzimide, o-Benzoic sulfimide, Saccharimide
| Molecular Formula | C7H5NO3S |
|---|---|
| Molecular Weight | 183.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.99901 |
| Heavy Atoms | 12 |
| Complexity | 303.0 |
| Melting Point | 228.9 °C (decomposes) |
| Boiling Point | Sublimes |
| Density | 0.828 - Less dense than water; will float |
| Solubility | greater than or equal to 100 mg/mL at 75 °F (NTP, 1992) |
| Vapor Pressure | 0.00000064 [mmHg] |
Chemical Identifiers
| CAS Number | 81-07-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NS2(=O)=O |
| InChIKey | CVHZOJJKTDOEJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
糖精 (CAS 81-07-2), with molecular formula C7H5NO3S and molecular weight 183.00 g/mol. IUPAC: 1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 糖精
Property Insights of 糖精
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 糖精. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 糖精. Following Lipinski's Rule of Five, 糖精 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
Frequently Asked Questions
What is the CAS number of 糖精?
The CAS number of 糖精 is 81-07-2.
What is the molecular formula of 糖精?
The molecular formula of 糖精 is C7H5NO3S.
What is the molecular weight of 糖精?
The molecular weight of 糖精 is 183.00 g/mol.
Where can I buy 糖精?
You can request a quote for 糖精 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 糖精?
Yes, KEHONG BIO provides custom synthesis services for 糖精 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.