1H-Benzotriazolesulfonic acid
TL;DR: 1H-Benzotriazolesulfonic acid (CAS 94667-47-7) is a chemical compound with molecular formula C6H5N3O3S and molecular weight 199.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazole-1-sulfonic acid
Also Known As: 1H-Benzotriazolesulfonic acid, benzotriazole-1-sulfonic acid, 1H-Benzotriazolesulphonic acid, RefChem:438185
| Molecular Formula | C6H5N3O3S |
|---|---|
| Molecular Weight | 199.01 g/mol |
| LogP | 0.0822 |
| Topological Polar Surface Area | 85.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.00516 |
| Heavy Atoms | 13 |
| Complexity | 545.00476 |
Chemical Identifiers
| CAS Number | 94667-47-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2S(=O)(=O)O |
Product Overview
1H-Benzotriazolesulfonic acid (CAS 94667-47-7), with molecular formula C6H5N3O3S and molecular weight 199.01 g/mol. IUPAC: benzotriazole-1-sulfonic acid.
Chemical Property Profile of 1H-Benzotriazolesulfonic acid
Property Insights of 1H-Benzotriazolesulfonic acid
The XLogP value of 0.0822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzotriazolesulfonic acid. The TPSA of 85.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzotriazolesulfonic acid. Following Lipinski's Rule of Five, 1H-Benzotriazolesulfonic acid 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 1H-Benzotriazolesulfonic acid?
The CAS number of 1H-Benzotriazolesulfonic acid is 94667-47-7.
What is the molecular formula of 1H-Benzotriazolesulfonic acid?
The molecular formula of 1H-Benzotriazolesulfonic acid is C6H5N3O3S.
What is the molecular weight of 1H-Benzotriazolesulfonic acid?
The molecular weight of 1H-Benzotriazolesulfonic acid is 199.01 g/mol.
Where can I buy 1H-Benzotriazolesulfonic acid?
You can request a quote for 1H-Benzotriazolesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzotriazolesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzotriazolesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.