2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid
TL;DR: 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid (CAS 57658-36-3) is a chemical compound with molecular formula C3H4N4O2S and molecular weight 160.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-sulfanylidene-2H-tetrazol-1-yl)acetic acid
Also Known As: 5-Mercapto-1H-tetrazole-1-acetic acid, null, Timeperone, MTAA, 5-Mercaptotetrazole-1-acetic acid
| Molecular Formula | C3H4N4O2S |
|---|---|
| Molecular Weight | 160.01 g/mol |
| LogP | -0.57971 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.0055 |
| Heavy Atoms | 10 |
| Complexity | 288.69284 |
Chemical Identifiers
| CAS Number | 57658-36-3 |
|---|---|
| SMILES | C(C(=O)O)N1C(=S)N=NN1 |
Product Overview
2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid (CAS 57658-36-3), with molecular formula C3H4N4O2S and molecular weight 160.01 g/mol. IUPAC: 2-(5-sulfanylidene-2H-tetrazol-1-yl)acetic acid.
Chemical Property Profile of 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid
Property Insights of 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid
The XLogP value of -0.57971 indicates that 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid. Following Lipinski's Rule of Five, 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid has 2 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 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid?
The CAS number of 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid is 57658-36-3.
What is the molecular formula of 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid?
The molecular formula of 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid is C3H4N4O2S.
What is the molecular weight of 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid?
The molecular weight of 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid is 160.01 g/mol.
Where can I buy 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid?
You can request a quote for 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.