Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)
TL;DR: Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2) (CAS 87298-95-1) is a chemical compound with molecular formula C16H36N2O10S and molecular weight 448.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxylatomethylsulfanyl)acetate;bis(tris(2-hydroxyethyl)azanium)
Also Known As: Thiodiacetic acid triethanolamine, Thiodiacetic acid 2,2',2''-nitrilotriethanol salt (1:2), ACETIC ACID, THIODI-, compd. with 2,2',2''-NITRILOTRIS(ETHANOL) (1:2), 2-(2-oxido-2-oxoethyl)sulfanylacetate; tris(2-hydroxyethyl)azanium, Bis[2-hydroxy-N,N-bis(2-hydroxyethyl)ethan-1-aminium] 2,2'-sulfanediyldiacetate
| Molecular Formula | C16H36N2O10S |
|---|---|
| Molecular Weight | 448.21 g/mol |
| LogP | -9.08 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 448.20908 |
| Heavy Atoms | 29 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 87298-95-1 |
|---|---|
| SMILES | C(CO)[NH+](CCO)CCO.C(CO)[NH+](CCO)CCO.C(C(=O)[O-])SCC(=O)[O-] |
| InChIKey | NWGABUNPARSMIM-UHFFFAOYSA-N |
Product Overview
Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2) (CAS 87298-95-1), with molecular formula C16H36N2O10S and molecular weight 448.21 g/mol. IUPAC: 2-(carboxylatomethylsulfanyl)acetate;bis(tris(2-hydroxyethyl)azanium).
Chemical Property Profile of Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)
Property Insights of Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)
The XLogP value of -9.08 indicates that Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 236.0 Ų indicates high polarity, suggesting Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2) has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)?
The CAS number of Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2) is 87298-95-1.
What is the molecular formula of Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)?
The molecular formula of Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2) is C16H36N2O10S.
What is the molecular weight of Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)?
The molecular weight of Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2) is 448.21 g/mol.
Where can I buy Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)?
You can request a quote for Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, thiodi-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.