4,7-Benzothiazoledione, 2,5-dimethyl-
TL;DR: 4,7-Benzothiazoledione, 2,5-dimethyl- (CAS 650635-68-0) is a chemical compound with molecular formula C9H7NO2S and molecular weight 193.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-1,3-benzothiazole-4,7-dione
Also Known As: 4,7-Benzothiazoledione, 2,5-dimethyl-, 2,5-dimethyl-1,3-benzothiazole-4,7-dione, 2,5-Dimethyl-4,7-dioxobenzothiazole, 4,7-Benzothiazoledione,2,5-dimethyl, 4,7-Benzothiazoledione, 2,5-dimethyl- (9CI)
| Molecular Formula | C9H7NO2S |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.01974 |
| Heavy Atoms | 13 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 650635-68-0 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(C1=O)N=C(S2)C |
| InChIKey | FUHJILFPCUXBFQ-UHFFFAOYSA-N |
Product Overview
4,7-Benzothiazoledione, 2,5-dimethyl- (CAS 650635-68-0), with molecular formula C9H7NO2S and molecular weight 193.02 g/mol. IUPAC: 2,5-dimethyl-1,3-benzothiazole-4,7-dione.
Chemical Property Profile of 4,7-Benzothiazoledione, 2,5-dimethyl-
Property Insights of 4,7-Benzothiazoledione, 2,5-dimethyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Benzothiazoledione, 2,5-dimethyl-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7-Benzothiazoledione, 2,5-dimethyl-. Following Lipinski's Rule of Five, 4,7-Benzothiazoledione, 2,5-dimethyl- has 0 hydrogen bond donor(s) and 4 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 4,7-Benzothiazoledione, 2,5-dimethyl-?
The CAS number of 4,7-Benzothiazoledione, 2,5-dimethyl- is 650635-68-0.
What is the molecular formula of 4,7-Benzothiazoledione, 2,5-dimethyl-?
The molecular formula of 4,7-Benzothiazoledione, 2,5-dimethyl- is C9H7NO2S.
What is the molecular weight of 4,7-Benzothiazoledione, 2,5-dimethyl-?
The molecular weight of 4,7-Benzothiazoledione, 2,5-dimethyl- is 193.02 g/mol.
Where can I buy 4,7-Benzothiazoledione, 2,5-dimethyl-?
You can request a quote for 4,7-Benzothiazoledione, 2,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Benzothiazoledione, 2,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Benzothiazoledione, 2,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.