Thiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1)
TL;DR: Thiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1) (CAS 29584-84-7) 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.
bis(4,5-dimethyl-1,3-thiazole);ethane-1,2-disulfonic acid
Also Known As: 4,5-Dimethylthiazole 1,2-ethanedisulfonate, C5H7NS.1/2C2H6O6S2, Thiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1), C5-H7-N-S.1/2C2-H6-O6-S2, 4,5-dimethyl-1,3-thiazole; ethane-1,2-disulfonic acid
| Molecular Formula | C12H20N2O6S4 |
|---|---|
| Molecular Weight | 416.02 g/mol |
| LogP | 2.28188 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.02042 |
| Heavy Atoms | 24 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 29584-84-7 |
|---|---|
| SMILES | CC1=C(SC=N1)C.CC1=C(SC=N1)C.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | MTYBRWXTUDFKKV-UHFFFAOYSA-N |
Product Overview
Thiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1) (CAS 29584-84-7), with molecular formula C12H20N2O6S4 and molecular weight 416.02 g/mol. IUPAC: bis(4,5-dimethyl-1,3-thiazole);ethane-1,2-disulfonic acid.
Chemical Property Profile of Thiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1)
Property Insights of Thiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1)
The XLogP value of 2.28188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1). The TPSA of 208.0 Ų indicates high polarity, suggesting Thiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiazole, 4,5-dimethyl-, 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, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1)?
The CAS number of Thiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1) is 29584-84-7.
What is the molecular formula of Thiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1)?
The molecular formula of Thiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1) is C12H20N2O6S4.
What is the molecular weight of Thiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1)?
The molecular weight of Thiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1) is 416.02 g/mol.
Where can I buy Thiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1)?
You can request a quote for Thiazole, 4,5-dimethyl-, 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, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Thiazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.