Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate
TL;DR: Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate (CAS 13614-23-8) is a chemical compound with molecular formula C7H12ClNO6S3 and molecular weight 336.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-4-methyl-1,3-thiazole;ethane-1,2-disulfonic acid
Also Known As: Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate, 5-(Chloromethyl)-4-methylthiazole 1,2-ethanedisulfonate, Ethanedisulfonate-1,2 de methyl-4 chloromethyl-5 thiazole [French], Ethanedisulfonate-1,2 de methyl-4 chloromethyl-5 thiazole, 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methylthiazole
| Molecular Formula | C7H12ClNO6S3 |
|---|---|
| Molecular Weight | 336.95 g/mol |
| LogP | 0.95232 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.95154 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 13614-23-8 |
|---|---|
| SMILES | CC1=C(SC=N1)CCl.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | DYAVAEIRLPHPOA-UHFFFAOYSA-N |
Product Overview
Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate (CAS 13614-23-8), with molecular formula C7H12ClNO6S3 and molecular weight 336.95 g/mol. IUPAC: 5-(chloromethyl)-4-methyl-1,3-thiazole;ethane-1,2-disulfonic acid.
Chemical Property Profile of Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate
Property Insights of Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate
The XLogP value of 0.95232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate. The TPSA of 167.0 Ų indicates high polarity, suggesting Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate has 2 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 Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate?
The CAS number of Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate is 13614-23-8.
What is the molecular formula of Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate?
The molecular formula of Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate is C7H12ClNO6S3.
What is the molecular weight of Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate?
The molecular weight of Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate is 336.95 g/mol.
Where can I buy Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate?
You can request a quote for Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate?
Yes, KEHONG BIO provides custom synthesis services for Thiazole, 5-(chloromethyl)-4-methyl-, 1,2-ethanedisulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.