Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di-
TL;DR: Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di- (CAS 1116-57-0) is a chemical compound with molecular formula C8H13NO6S and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[carboxymethyl-[2-(carboxymethylsulfanyl)ethyl]amino]acetic acid
Also Known As: N,N,S-Tris(carboxymethyl)cysteamine, ((2-((Carboxymethyl)thio)ethyl)imino)diacetic acid, Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di-, Mercaptoethylamino-N,N,S-triacetic acid, 2-[carboxymethyl-[2-(carboxymethylsulfanyl)ethyl]amino]acetic acid
| Molecular Formula | C8H13NO6S |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | -0.7246 |
| Topological Polar Surface Area | 115.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 251.04636 |
| Heavy Atoms | 16 |
| Complexity | 253.25415 |
Chemical Identifiers
| CAS Number | 1116-57-0 |
|---|---|
| SMILES | C(CSCC(=O)O)N(CC(=O)O)CC(=O)O |
Product Overview
Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di- (CAS 1116-57-0), with molecular formula C8H13NO6S and molecular weight 251.05 g/mol. IUPAC: 2-[carboxymethyl-[2-(carboxymethylsulfanyl)ethyl]amino]acetic acid.
Chemical Property Profile of Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di-
Property Insights of Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di-
The XLogP value of -0.7246 indicates that Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di-. Following Lipinski's Rule of Five, Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di- has 3 hydrogen bond donor(s) and 5 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 Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di-?
The CAS number of Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di- is 1116-57-0.
What is the molecular formula of Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di-?
The molecular formula of Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di- is C8H13NO6S.
What is the molecular weight of Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di-?
The molecular weight of Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di- is 251.05 g/mol.
Where can I buy Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di-?
You can request a quote for Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((2-((carboxymethyl)thio)ethyl)imino)di- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.