2-(Carboxymethylsulfanylcarbothioylamino)acetic acid
TL;DR: 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid (CAS 29677-65-4) is a chemical compound with molecular formula C5H7NO4S2 and molecular weight 208.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethylsulfanylcarbothioylamino)acetic acid
Also Known As: 2- aceticacid, Epalrestat Impurity 43, N-carboxymethylsulfanylthiocarbonyl-glycine, 2-(carboxymethylsulfanylcarbothioylamino)acetic acid, 2-(((carboxymethyl)carbamothioyl)thio)acetic acid
| Molecular Formula | C5H7NO4S2 |
|---|---|
| Molecular Weight | 208.98 g/mol |
| LogP | -0.2367 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.98164 |
| Heavy Atoms | 12 |
| Complexity | 185.6249 |
Chemical Identifiers
| CAS Number | 29677-65-4 |
|---|---|
| SMILES | C(C(=O)O)NC(=S)SCC(=O)O |
Product Overview
2-(Carboxymethylsulfanylcarbothioylamino)acetic acid (CAS 29677-65-4), with molecular formula C5H7NO4S2 and molecular weight 208.98 g/mol. IUPAC: 2-(carboxymethylsulfanylcarbothioylamino)acetic acid.
Chemical Property Profile of 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid
Property Insights of 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid
The XLogP value of -0.2367 indicates that 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid. Following Lipinski's Rule of Five, 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid has 3 hydrogen bond donor(s) and 4 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-(Carboxymethylsulfanylcarbothioylamino)acetic acid?
The CAS number of 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid is 29677-65-4.
What is the molecular formula of 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid?
The molecular formula of 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid is C5H7NO4S2.
What is the molecular weight of 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid?
The molecular weight of 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid is 208.98 g/mol.
Where can I buy 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid?
You can request a quote for 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Carboxymethylsulfanylcarbothioylamino)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.