Thiazole, 5-(2-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1)
TL;DR: Thiazole, 5-(2-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1) (CAS 15913-38-9) is a chemical compound with molecular formula C16H26Cl2N2O6S4 and molecular weight 540.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5-(2-chloropropyl)-4-methyl-1,3-thiazole);ethane-1,2-disulfonic acid
Also Known As: 5-(2-Chloropropyl)-4-methylthiazole ethanedisulfonate (2:1), Thiazole, 5-(2-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1), 5-(2-chloropropyl)-4-methyl-1,3-thiazole; ethane-1,2-disulfonic acid, Ethane-1,2-disulfonic acid--5-(2-chloropropyl)-4-methyl-1,3-thiazole (1/2), RefChem:1099839
| Molecular Formula | C16H26Cl2N2O6S4 |
|---|---|
| Molecular Weight | 540.01 g/mol |
| LogP | 4.00464 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.00507 |
| Heavy Atoms | 30 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 15913-38-9 |
|---|---|
| SMILES | CC1=C(SC=N1)CC(C)Cl.CC1=C(SC=N1)CC(C)Cl.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | XXIKIUYLSVQDKJ-UHFFFAOYSA-N |
Product Overview
Thiazole, 5-(2-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1) (CAS 15913-38-9), with molecular formula C16H26Cl2N2O6S4 and molecular weight 540.01 g/mol. IUPAC: bis(5-(2-chloropropyl)-4-methyl-1,3-thiazole);ethane-1,2-disulfonic acid.
Chemical Property Profile of Thiazole, 5-(2-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1)
Property Insights of Thiazole, 5-(2-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1)
The XLogP value of 4.00464 indicates that Thiazole, 5-(2-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 208.0 Ų indicates high polarity, suggesting Thiazole, 5-(2-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiazole, 5-(2-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1) has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiazole, 5-(2-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1)?
The CAS number of Thiazole, 5-(2-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1) is 15913-38-9.
What is the molecular formula of Thiazole, 5-(2-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1)?
The molecular formula of Thiazole, 5-(2-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1) is C16H26Cl2N2O6S4.
What is the molecular weight of Thiazole, 5-(2-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1)?
The molecular weight of Thiazole, 5-(2-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1) is 540.01 g/mol.
Where can I buy Thiazole, 5-(2-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1)?
You can request a quote for Thiazole, 5-(2-chloropropyl)-4-methyl-, 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-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Thiazole, 5-(2-chloropropyl)-4-methyl-, 1,2-ethanedisulfonate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.