6-Methylsaccharin
TL;DR: 6-Methylsaccharin (CAS 4554-06-7) 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.
6-methyl-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 6-Methylsaccharin, 6-methyl-1,1-dioxo-1,2-benzothiazol-3-one, 6-methyl-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione, 1,2-Benzisothiazolin-3-one, 6-methyl-, 1,1-dioxide, 1,2-Benzisothiazol-3(2H)-one, 6-methyl-, 1,1-dioxide
| Molecular Formula | C8H7NO3S |
|---|---|
| Molecular Weight | 197.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.01466 |
| Heavy Atoms | 13 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 4554-06-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=O)NS2(=O)=O |
| InChIKey | WFJDVZINKFIAPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methylsaccharin (CAS 4554-06-7), with molecular formula C8H7NO3S and molecular weight 197.01 g/mol. IUPAC: 6-methyl-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 6-Methylsaccharin
Property Insights of 6-Methylsaccharin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methylsaccharin. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methylsaccharin. Following Lipinski's Rule of Five, 6-Methylsaccharin 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 6-Methylsaccharin?
The CAS number of 6-Methylsaccharin is 4554-06-7.
What is the molecular formula of 6-Methylsaccharin?
The molecular formula of 6-Methylsaccharin is C8H7NO3S.
What is the molecular weight of 6-Methylsaccharin?
The molecular weight of 6-Methylsaccharin is 197.01 g/mol.
Where can I buy 6-Methylsaccharin?
You can request a quote for 6-Methylsaccharin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methylsaccharin?
Yes, KEHONG BIO provides custom synthesis services for 6-Methylsaccharin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.