Thiazole, 5-(2-chloroethyl)-, 1,2-ethanedisulfonate (2:1)
TL;DR: Thiazole, 5-(2-chloroethyl)-, 1,2-ethanedisulfonate (2:1) (CAS 18067-28-2) is a chemical compound with molecular formula C12H18Cl2N2O6S4 and molecular weight 483.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5-(2-chloroethyl)-1,3-thiazole);ethane-1,2-disulfonic acid
Also Known As: 5-(2-Chloroethyl)thiazole ethanedisulfonate (2:1), Thiazole, 5-(2-chloroethyl)-, 1,2-ethanedisulfonate (2:1), 1,2-Ethanedisulfonic acid, compd. with 5-(2-chloroethyl)thiazole (1:2), 5-(2-chloroethyl)-1,3-thiazole; ethane-1,2-disulfonic acid, Ethane-1,2-disulfonic acid--5-(2-chloroethyl)-1,3-thiazole (1/2)
| Molecular Formula | C12H18Cl2N2O6S4 |
|---|---|
| Molecular Weight | 483.94 g/mol |
| LogP | 2.6108 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.94247 |
| Heavy Atoms | 26 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 18067-28-2 |
|---|---|
| SMILES | C1=C(SC=N1)CCCl.C1=C(SC=N1)CCCl.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | HSLFINYDEGJEDV-UHFFFAOYSA-N |
Product Overview
Thiazole, 5-(2-chloroethyl)-, 1,2-ethanedisulfonate (2:1) (CAS 18067-28-2), with molecular formula C12H18Cl2N2O6S4 and molecular weight 483.94 g/mol. IUPAC: bis(5-(2-chloroethyl)-1,3-thiazole);ethane-1,2-disulfonic acid.
Chemical Property Profile of Thiazole, 5-(2-chloroethyl)-, 1,2-ethanedisulfonate (2:1)
Property Insights of Thiazole, 5-(2-chloroethyl)-, 1,2-ethanedisulfonate (2:1)
The XLogP value of 2.6108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiazole, 5-(2-chloroethyl)-, 1,2-ethanedisulfonate (2:1). The TPSA of 208.0 Ų indicates high polarity, suggesting Thiazole, 5-(2-chloroethyl)-, 1,2-ethanedisulfonate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiazole, 5-(2-chloroethyl)-, 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, 5-(2-chloroethyl)-, 1,2-ethanedisulfonate (2:1)?
The CAS number of Thiazole, 5-(2-chloroethyl)-, 1,2-ethanedisulfonate (2:1) is 18067-28-2.
What is the molecular formula of Thiazole, 5-(2-chloroethyl)-, 1,2-ethanedisulfonate (2:1)?
The molecular formula of Thiazole, 5-(2-chloroethyl)-, 1,2-ethanedisulfonate (2:1) is C12H18Cl2N2O6S4.
What is the molecular weight of Thiazole, 5-(2-chloroethyl)-, 1,2-ethanedisulfonate (2:1)?
The molecular weight of Thiazole, 5-(2-chloroethyl)-, 1,2-ethanedisulfonate (2:1) is 483.94 g/mol.
Where can I buy Thiazole, 5-(2-chloroethyl)-, 1,2-ethanedisulfonate (2:1)?
You can request a quote for Thiazole, 5-(2-chloroethyl)-, 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, 5-(2-chloroethyl)-, 1,2-ethanedisulfonate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Thiazole, 5-(2-chloroethyl)-, 1,2-ethanedisulfonate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.