Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1)
TL;DR: Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1) (CAS 29584-89-2) is a chemical compound with molecular formula C12H20N2O6S4 and molecular weight 416.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethane-1,2-disulfonic acid;bis(4-ethyl-1,3-thiazole)
Also Known As: 4-Ethylthiazole 1,2-ethanedisulfonate, Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1), 1,2-Ethanedisulfonic acid compd. with 4-ethylthiazole (1:2), C5-H7-N-S.1/2C2-H6-O6-S2, ethane-1,2-disulfonic acid; 4-ethyl-1,3-thiazole
| Molecular Formula | C12H20N2O6S4 |
|---|---|
| Molecular Weight | 416.02 g/mol |
| LogP | 2.173 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.02042 |
| Heavy Atoms | 24 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 29584-89-2 |
|---|---|
| SMILES | CCC1=CSC=N1.CCC1=CSC=N1.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | DSNKNOSKHVCKIN-UHFFFAOYSA-N |
Product Overview
Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1) (CAS 29584-89-2), with molecular formula C12H20N2O6S4 and molecular weight 416.02 g/mol. IUPAC: ethane-1,2-disulfonic acid;bis(4-ethyl-1,3-thiazole).
Chemical Property Profile of Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1)
Property Insights of Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1)
The XLogP value of 2.173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1). The TPSA of 208.0 Ų indicates high polarity, suggesting Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1) has 2 hydrogen bond donor(s) and 10 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 Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1)?
The CAS number of Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1) is 29584-89-2.
What is the molecular formula of Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1)?
The molecular formula of Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1) is C12H20N2O6S4.
What is the molecular weight of Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1)?
The molecular weight of Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1) is 416.02 g/mol.
Where can I buy Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1)?
You can request a quote for Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Thiazole, 4-ethyl-, 1,2-ethanedisulfonate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.