3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid
TL;DR: 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid (CAS 15909-66-7) is a chemical compound with molecular formula C8H6N4O2S and molecular weight 222.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid
Also Known As: 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid, 1-(3-carboxyphenyl)-5-mercaptotetrazole, Benzoic acid, 3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-, 3-(5-sulfanyl-1H-tetraazol-1-yl)benzoic acid, Benzoic acid,3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)
| Molecular Formula | C8H6N4O2S |
|---|---|
| Molecular Weight | 222.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.02115 |
| Heavy Atoms | 15 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 15909-66-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=S)N=NN2)C(=O)O |
| InChIKey | FZLLHXXADRILOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid (CAS 15909-66-7), with molecular formula C8H6N4O2S and molecular weight 222.02 g/mol. IUPAC: 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid.
Chemical Property Profile of 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid
Property Insights of 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid. Following Lipinski's Rule of Five, 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid has 2 hydrogen bond donor(s) and 5 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 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid?
The CAS number of 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid is 15909-66-7.
What is the molecular formula of 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid?
The molecular formula of 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid is C8H6N4O2S.
What is the molecular weight of 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid?
The molecular weight of 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid is 222.02 g/mol.
Where can I buy 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid?
You can request a quote for 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.