1,2,3-Benzothiadiazole, 5,6-dimethyl-
TL;DR: 1,2,3-Benzothiadiazole, 5,6-dimethyl- (CAS 655-48-1) is a chemical compound with molecular formula C8H8N2S and molecular weight 164.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-1,2,3-benzothiadiazole
Also Known As: 5,6-Dimethyl-1,2,3-benzothiadiazole, 1,2,3-Benzothiadiazole, 5,6-dimethyl-, 5,6-Dimethylbenzo[d][1,2,3]thiadiazole, 1,2,3-Benzothiadiazole,5,6-dimethyl, Guanosine 5'-diphosphate-3'-monophosphate
| Molecular Formula | C8H8N2S |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.04082 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 655-48-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)SN=N2 |
| InChIKey | LVOKRXRSQIWJBT-UHFFFAOYSA-N |
Product Overview
1,2,3-Benzothiadiazole, 5,6-dimethyl- (CAS 655-48-1), with molecular formula C8H8N2S and molecular weight 164.04 g/mol. IUPAC: 5,6-dimethyl-1,2,3-benzothiadiazole.
Chemical Property Profile of 1,2,3-Benzothiadiazole, 5,6-dimethyl-
Property Insights of 1,2,3-Benzothiadiazole, 5,6-dimethyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Benzothiadiazole, 5,6-dimethyl-. With a topological polar surface area (TPSA) of 54.0 Ų, 1,2,3-Benzothiadiazole, 5,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Benzothiadiazole, 5,6-dimethyl- 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 1,2,3-Benzothiadiazole, 5,6-dimethyl-?
The CAS number of 1,2,3-Benzothiadiazole, 5,6-dimethyl- is 655-48-1.
What is the molecular formula of 1,2,3-Benzothiadiazole, 5,6-dimethyl-?
The molecular formula of 1,2,3-Benzothiadiazole, 5,6-dimethyl- is C8H8N2S.
What is the molecular weight of 1,2,3-Benzothiadiazole, 5,6-dimethyl-?
The molecular weight of 1,2,3-Benzothiadiazole, 5,6-dimethyl- is 164.04 g/mol.
Where can I buy 1,2,3-Benzothiadiazole, 5,6-dimethyl-?
You can request a quote for 1,2,3-Benzothiadiazole, 5,6-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Benzothiadiazole, 5,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Benzothiadiazole, 5,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.