2,2'-硫代二乙酸
TL;DR: 2,2'-硫代二乙酸 (CAS 123-93-3) is a chemical compound with molecular formula C4H6O4S and molecular weight 150.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2'-硫代二乙酸
2-(carboxymethylsulfanyl)acetic acid
Also Known As: Thiodiglycolic acid, Thiodiacetic acid, 2,2'-Thiodiacetic acid, Mercaptodiacetic acid, Thiodi(acetic acid)
| Molecular Formula | C4H6O4S |
|---|---|
| Molecular Weight | 150.00 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 149.99867 |
| Heavy Atoms | 9 |
| Complexity | 108.0 |
| Melting Point | 129 °C |
| Solubility | Very soluble in ethanol, soluble in benzene |
Chemical Identifiers
| CAS Number | 123-93-3 |
|---|---|
| SMILES | C(C(=O)O)SCC(=O)O |
| InChIKey | UVZICZIVKIMRNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-硫代二乙酸 (CAS 123-93-3), with molecular formula C4H6O4S and molecular weight 150.00 g/mol. IUPAC: 2-(carboxymethylsulfanyl)acetic acid.
Chemical Property Profile of 2,2'-硫代二乙酸
Property Insights of 2,2'-硫代二乙酸
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-硫代二乙酸. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-硫代二乙酸. Following Lipinski's Rule of Five, 2,2'-硫代二乙酸 has 2 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 2,2'-硫代二乙酸?
The CAS number of 2,2'-硫代二乙酸 is 123-93-3.
What is the molecular formula of 2,2'-硫代二乙酸?
The molecular formula of 2,2'-硫代二乙酸 is C4H6O4S.
What is the molecular weight of 2,2'-硫代二乙酸?
The molecular weight of 2,2'-硫代二乙酸 is 150.00 g/mol.
Where can I buy 2,2'-硫代二乙酸?
You can request a quote for 2,2'-硫代二乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-硫代二乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-硫代二乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.