2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid
TL;DR: 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid (CAS 67146-22-9) is a chemical compound with molecular formula C2H4N4O3S2 and molecular weight 195.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-sulfanylidene-2H-tetrazol-1-yl)methanesulfonic acid
Also Known As: Cefonicid Sodium Impurity 3, EINECS 266-586-7, 1-sulfomethyltetrazole-5-thiol, 5-Cyanoindole-3-carboxyaldehyde, 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid
| Molecular Formula | C2H4N4O3S2 |
|---|---|
| Molecular Weight | 195.97 g/mol |
| LogP | -0.81901 |
| Topological Polar Surface Area | 100.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.97249 |
| Heavy Atoms | 11 |
| Complexity | 387.46973 |
Chemical Identifiers
| CAS Number | 67146-22-9 |
|---|---|
| SMILES | C(N1C(=S)N=NN1)S(=O)(=O)O |
Product Overview
2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid (CAS 67146-22-9), with molecular formula C2H4N4O3S2 and molecular weight 195.97 g/mol. IUPAC: (5-sulfanylidene-2H-tetrazol-1-yl)methanesulfonic acid.
Chemical Property Profile of 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid
Property Insights of 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid
The XLogP value of -0.81901 indicates that 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid. Following Lipinski's Rule of Five, 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic 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 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid?
The CAS number of 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid is 67146-22-9.
What is the molecular formula of 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid?
The molecular formula of 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid is C2H4N4O3S2.
What is the molecular weight of 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid?
The molecular weight of 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid is 195.97 g/mol.
Where can I buy 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid?
You can request a quote for 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic 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-methanesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.