1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate
TL;DR: 1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate (CAS 5380-27-8) is a chemical compound with molecular formula C9H12N4O3S2 and molecular weight 288.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonic acid;1,2,4-thiadiazole-3,5-diamine
Also Known As: 3,5-Diamino-1,2,4-thiadiazole p-toluenesulfonate, 1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate, 4-methylbenzenesulfonic acid,1,2,4-thiadiazole-3,5-diamine, 4-methylbenzenesulfonic acid; 1,2,4-thiadiazole-3,5-diamine, 1,2,4-thiadiazole-3,5-diamine; 4-methylbenzene-1-sulfonic acid
| Molecular Formula | C9H12N4O3S2 |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | 0.94422 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.0351 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 5380-27-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1(=NSC(=N1)N)N |
| InChIKey | FXQDQNMVXPFVQF-UHFFFAOYSA-N |
Product Overview
1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate (CAS 5380-27-8), with molecular formula C9H12N4O3S2 and molecular weight 288.04 g/mol. IUPAC: 4-methylbenzenesulfonic acid;1,2,4-thiadiazole-3,5-diamine.
Chemical Property Profile of 1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate
Property Insights of 1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate
The XLogP value of 0.94422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate. The TPSA of 169.0 Ų indicates high polarity, suggesting 1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate has 3 hydrogen bond donor(s) and 8 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 1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate?
The CAS number of 1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate is 5380-27-8.
What is the molecular formula of 1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate?
The molecular formula of 1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate is C9H12N4O3S2.
What is the molecular weight of 1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate?
The molecular weight of 1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate is 288.04 g/mol.
Where can I buy 1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate?
You can request a quote for 1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.