* Trimethylsulfonium iodide
TL;DR: * Trimethylsulfonium iodide (CAS 90247-45-3) is a chemical compound with molecular formula C18H20N2Na4O12S2 and molecular weight 612.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;2-[2-[[carboxylato-[5-[dihydroxy(oxido)-λ4-sulfanyl]-2-hydroxyphenyl]methyl]amino]ethylamino]-2-[5-[dihydroxy(oxido)-λ4-sulfanyl]-2-hydroxyphenyl]acetate
Also Known As: * Trimethylsulfonium iodide, Iodide Chelate 0.5% 40M, tetrasodium 2-[5-[dihydroxy(oxido), tetrasodium 2-[5-[dihydroxy(oxido)-, Tetrasodium alpha,alpha'-(ethylenediimino)bis((2-hydroxy-5-sulphonatophenyl)acetate)
| Molecular Formula | C18H20N2Na4O12S2 |
|---|---|
| Molecular Weight | 612.00 g/mol |
| LogP | -12.945 |
| Topological Polar Surface Area | 274.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 612.0048 |
| Heavy Atoms | 38 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 90247-45-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(O)(O)[O-])C(C(=O)[O-])NCCNC(C2=C(C=CC(=C2)S(O)(O)[O-])O)C(=O)[O-])O.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | RMHUXLCIDUXNLI-UHFFFAOYSA-J |
Product Overview
* Trimethylsulfonium iodide (CAS 90247-45-3), with molecular formula C18H20N2Na4O12S2 and molecular weight 612.00 g/mol. IUPAC: tetrasodium;2-[2-[[carboxylato-[5-[dihydroxy(oxido)-λ4-sulfanyl]-2-hydroxyphenyl]methyl]amino]ethylamino]-2-[5-[dihydroxy(oxido)-λ4-sulfanyl]-2-hydroxyphenyl]acetate.
Chemical Property Profile of * Trimethylsulfonium iodide
Property Insights of * Trimethylsulfonium iodide
The XLogP value of -12.945 indicates that * Trimethylsulfonium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 274.0 Ų indicates high polarity, suggesting * Trimethylsulfonium iodide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, * Trimethylsulfonium iodide has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of * Trimethylsulfonium iodide?
The CAS number of * Trimethylsulfonium iodide is 90247-45-3.
What is the molecular formula of * Trimethylsulfonium iodide?
The molecular formula of * Trimethylsulfonium iodide is C18H20N2Na4O12S2.
What is the molecular weight of * Trimethylsulfonium iodide?
The molecular weight of * Trimethylsulfonium iodide is 612.00 g/mol.
Where can I buy * Trimethylsulfonium iodide?
You can request a quote for * Trimethylsulfonium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for * Trimethylsulfonium iodide?
Yes, KEHONG BIO provides custom synthesis services for * Trimethylsulfonium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.