Thio-bis(ethylene nitrilo)tetraacetic acid
TL;DR: Thio-bis(ethylene nitrilo)tetraacetic acid (CAS 923-74-0) is a chemical compound with molecular formula C12H20N2O8S and molecular weight 352.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-[bis(carboxymethyl)amino]ethylsulfanyl]ethyl-(carboxymethyl)amino]acetic acid
Also Known As: thio-bis(ethylene nitrilo)tetraacetic acid, thiobis(ethylamine)-N,N,N',N'-tetraacetic acid, 2-[2-[2-(bis(carboxymethyl)amino)ethylsulfanyl]ethyl-(carboxymethyl)amino]acetic Acid, 2-[2-[2-[bis(carboxymethyl)amino]ethylsulfanyl]ethyl-(carboxymethyl)amino]acetic acid, 6-Thia-3,9-diazaundecanedioic acid, 3,9-bis(carboxymethyl)- ((2,2'-Thiodiethylene)dinitrilotetraacetic acid)-
| Molecular Formula | C12H20N2O8S |
|---|---|
| Molecular Weight | 352.09 g/mol |
| LogP | -5.2 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 352.09402 |
| Heavy Atoms | 23 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 923-74-0 |
|---|---|
| SMILES | C(CSCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
| InChIKey | BOUNYCSDIFNPHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thio-bis(ethylene nitrilo)tetraacetic acid (CAS 923-74-0), with molecular formula C12H20N2O8S and molecular weight 352.09 g/mol. IUPAC: 2-[2-[2-[bis(carboxymethyl)amino]ethylsulfanyl]ethyl-(carboxymethyl)amino]acetic acid.
Chemical Property Profile of Thio-bis(ethylene nitrilo)tetraacetic acid
Property Insights of Thio-bis(ethylene nitrilo)tetraacetic acid
The XLogP value of -5.2 indicates that Thio-bis(ethylene nitrilo)tetraacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting Thio-bis(ethylene nitrilo)tetraacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thio-bis(ethylene nitrilo)tetraacetic acid has 4 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 Thio-bis(ethylene nitrilo)tetraacetic acid?
The CAS number of Thio-bis(ethylene nitrilo)tetraacetic acid is 923-74-0.
What is the molecular formula of Thio-bis(ethylene nitrilo)tetraacetic acid?
The molecular formula of Thio-bis(ethylene nitrilo)tetraacetic acid is C12H20N2O8S.
What is the molecular weight of Thio-bis(ethylene nitrilo)tetraacetic acid?
The molecular weight of Thio-bis(ethylene nitrilo)tetraacetic acid is 352.09 g/mol.
Where can I buy Thio-bis(ethylene nitrilo)tetraacetic acid?
You can request a quote for Thio-bis(ethylene nitrilo)tetraacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thio-bis(ethylene nitrilo)tetraacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Thio-bis(ethylene nitrilo)tetraacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.