3a,7a-Dihydro-1,2,3-benzothiadiazole
TL;DR: 3a,7a-Dihydro-1,2,3-benzothiadiazole (CAS 73299-03-3) is a chemical compound with molecular formula C6H6N2S and molecular weight 138.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,7a-dihydro-1,2,3-benzothiadiazole
Also Known As: Benzothiadiazole, 3a,7a-dihydro-1,2,3-benzothiadiazole
| Molecular Formula | C6H6N2S |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 50.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.02516 |
| Heavy Atoms | 9 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 73299-03-3 |
|---|---|
| SMILES | C1=CC2C(C=C1)SN=N2 |
| InChIKey | IXWDMNHEKAMXCY-UHFFFAOYSA-N |
Product Overview
3a,7a-Dihydro-1,2,3-benzothiadiazole (CAS 73299-03-3), with molecular formula C6H6N2S and molecular weight 138.03 g/mol. IUPAC: 3a,7a-dihydro-1,2,3-benzothiadiazole.
Chemical Property Profile of 3a,7a-Dihydro-1,2,3-benzothiadiazole
Property Insights of 3a,7a-Dihydro-1,2,3-benzothiadiazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,7a-Dihydro-1,2,3-benzothiadiazole. With a topological polar surface area (TPSA) of 50.0 Ų, 3a,7a-Dihydro-1,2,3-benzothiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,7a-Dihydro-1,2,3-benzothiadiazole 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 3a,7a-Dihydro-1,2,3-benzothiadiazole?
The CAS number of 3a,7a-Dihydro-1,2,3-benzothiadiazole is 73299-03-3.
What is the molecular formula of 3a,7a-Dihydro-1,2,3-benzothiadiazole?
The molecular formula of 3a,7a-Dihydro-1,2,3-benzothiadiazole is C6H6N2S.
What is the molecular weight of 3a,7a-Dihydro-1,2,3-benzothiadiazole?
The molecular weight of 3a,7a-Dihydro-1,2,3-benzothiadiazole is 138.03 g/mol.
Where can I buy 3a,7a-Dihydro-1,2,3-benzothiadiazole?
You can request a quote for 3a,7a-Dihydro-1,2,3-benzothiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,7a-Dihydro-1,2,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3a,7a-Dihydro-1,2,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.