2,1,3-Benzothiadiazol-4-ol
TL;DR: 2,1,3-Benzothiadiazol-4-ol (CAS 78902-13-3) is a chemical compound with molecular formula C6H4N2OS and molecular weight 152.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,1,3-benzothiadiazol-4-ol
Also Known As: 2,1,3-Benzothiadiazol-4-ol, Benzo[c][1,2,5]thiadiazol-4(1H)-one, 4-Hydroxy-2,1,3-benzothiadiazole, benzo[c][1,2,5]thiadiazol-4-ol, 2,1,3-benzothiadiazol-4(1h)-one
| Molecular Formula | C6H4N2OS |
|---|---|
| Molecular Weight | 152.00 g/mol |
| LogP | 1.3969 |
| Topological Polar Surface Area | 46.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.00444 |
| Heavy Atoms | 10 |
| Complexity | 357.2753 |
Chemical Identifiers
| CAS Number | 78902-13-3 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)O |
Product Overview
2,1,3-Benzothiadiazol-4-ol (CAS 78902-13-3), with molecular formula C6H4N2OS and molecular weight 152.00 g/mol. IUPAC: 2,1,3-benzothiadiazol-4-ol.
Chemical Property Profile of 2,1,3-Benzothiadiazol-4-ol
Property Insights of 2,1,3-Benzothiadiazol-4-ol
The XLogP value of 1.3969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzothiadiazol-4-ol. With a topological polar surface area (TPSA) of 46.01 Ų, 2,1,3-Benzothiadiazol-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,1,3-Benzothiadiazol-4-ol has 1 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 2,1,3-Benzothiadiazol-4-ol?
The CAS number of 2,1,3-Benzothiadiazol-4-ol is 78902-13-3.
What is the molecular formula of 2,1,3-Benzothiadiazol-4-ol?
The molecular formula of 2,1,3-Benzothiadiazol-4-ol is C6H4N2OS.
What is the molecular weight of 2,1,3-Benzothiadiazol-4-ol?
The molecular weight of 2,1,3-Benzothiadiazol-4-ol is 152.00 g/mol.
Where can I buy 2,1,3-Benzothiadiazol-4-ol?
You can request a quote for 2,1,3-Benzothiadiazol-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1,3-Benzothiadiazol-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzothiadiazol-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.