2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物
TL;DR: 2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物 (CAS 15448-99-4) is a chemical compound with molecular formula C8H7NO3S and molecular weight 197.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物
2-methyl-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: N-Methylsaccharin, 2-Methylbenzo[d]isothiazol-3(2H)-one 1,1-dioxide, Methylsaccharin, methyl saccharine, Saccharin methylated
| Molecular Formula | C8H7NO3S |
|---|---|
| Molecular Weight | 197.01 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.01466 |
| Heavy Atoms | 13 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 15448-99-4 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2S1(=O)=O |
| InChIKey | DDIIAJRLFATEEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物 (CAS 15448-99-4), with molecular formula C8H7NO3S and molecular weight 197.01 g/mol. IUPAC: 2-methyl-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物
Property Insights of 2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物. Following Lipinski's Rule of Five, 2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物 has 0 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 2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物?
The CAS number of 2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物 is 15448-99-4.
What is the molecular formula of 2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物?
The molecular formula of 2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物 is C8H7NO3S.
What is the molecular weight of 2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物?
The molecular weight of 2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物 is 197.01 g/mol.
Where can I buy 2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物?
You can request a quote for 2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-1,2-苯并异噻唑-3(2H)-酮1,1-二氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.