Phthalyltetrathioacetic acid
TL;DR: Phthalyltetrathioacetic acid (CAS 51865-21-5) is a chemical compound with molecular formula C16H18O8S4 and molecular weight 465.98846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[bis(carboxymethylsulfanyl)methyl]phenyl]-(carboxymethylsulfanyl)methyl]sulfanylacetic acid
Also Known As: Phthalyltetrathioacetic acid, PTTA, (o-Phenylenebis(methylidynedithio))tetraacetic acid, J1.995.555I, 1,2-Phenylenebismethylidynetetrakisthiotetraacetic acid
Technical Specifications
| Molecular Formula | C16H18O8S4 |
| Molecular Weight | 465.98846 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 250.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 465.98846 Da |
| Heavy Atoms | 28 |
| Complexity | 475.0 |
| SMILES | C1=CC=C(C(=C1)C(SCC(=O)O)SCC(=O)O)C(SCC(=O)O)SCC(=O)O |
| InChIKey | VGQNYXDTZUDPEI-UHFFFAOYSA-N |
Chemical Property Profile of Phthalyltetrathioacetic acid
Property Insights of Phthalyltetrathioacetic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalyltetrathioacetic acid. The TPSA of 250.0 Ų indicates high polarity, suggesting Phthalyltetrathioacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phthalyltetrathioacetic acid has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Phthalyltetrathioacetic acid?
The CAS number of Phthalyltetrathioacetic acid is 51865-21-5.
What is the molecular formula of Phthalyltetrathioacetic acid?
The molecular formula of Phthalyltetrathioacetic acid is C16H18O8S4.
What is the molecular weight of Phthalyltetrathioacetic acid?
The molecular weight of Phthalyltetrathioacetic acid is 465.98846 g/mol.
Where can I buy Phthalyltetrathioacetic acid?
You can request a quote for Phthalyltetrathioacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phthalyltetrathioacetic acid?
Yes, CoreyChem provides custom synthesis services for Phthalyltetrathioacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.