1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-
TL;DR: 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)- (CAS 15909-94-1) is a chemical compound with molecular formula C9H6N4O4S and molecular weight 266.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-sulfanylidene-2H-tetrazol-1-yl)benzene-1,3-dicarboxylic acid
Also Known As: EINECS 240-052-3, 5-(5-Mercapto-1H-tetrazol-1-yl)isophthalic acid, 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-, 5-(5-sulfanylidene-2H-tetrazol-1-yl)benzene-1,3-dicarboxylic acid, 5-(5-Sulfanyl-1H-tetrazol-1-yl)benzene-1,3-dicarboxylic acid
| Molecular Formula | C9H6N4O4S |
|---|---|
| Molecular Weight | 266.01 g/mol |
| LogP | 0.72129 |
| Topological Polar Surface Area | 121.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.011 |
| Heavy Atoms | 18 |
| Complexity | 657.6212 |
Chemical Identifiers
| CAS Number | 15909-94-1 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(=O)O)N2C(=S)N=NN2)C(=O)O |
Product Overview
1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)- (CAS 15909-94-1), with molecular formula C9H6N4O4S and molecular weight 266.01 g/mol. IUPAC: 5-(5-sulfanylidene-2H-tetrazol-1-yl)benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-
Property Insights of 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-
The XLogP value of 0.72129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-. The TPSA of 121.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)- has 3 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 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-?
The CAS number of 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)- is 15909-94-1.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-?
The molecular formula of 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)- is C9H6N4O4S.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-?
The molecular weight of 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)- is 266.01 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-?
You can request a quote for 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.