Picrylthioglycolic acid
TL;DR: Picrylthioglycolic acid (CAS 77092-93-4) is a chemical compound with molecular formula C8H5N3O8S and molecular weight 302.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,6-trinitrophenyl)sulfanylacetic acid
Also Known As: Picrylthioglycolic acid, Picrylthioglycollic acid, 2-(2,4,6-trinitrophenyl)sulfanylacetic acid, Acetic acid, ((2,4,6-trinitrophenyl)thio)-, [(2,4,6-trinitrophenyl)sulfanyl]acetic acid
| Molecular Formula | C8H5N3O8S |
|---|---|
| Molecular Weight | 302.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.97974 |
| Heavy Atoms | 20 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 77092-93-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])SCC(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GKLQRTFYEJZFHP-UHFFFAOYSA-N |
Product Overview
Picrylthioglycolic acid (CAS 77092-93-4), with molecular formula C8H5N3O8S and molecular weight 302.98 g/mol. IUPAC: 2-(2,4,6-trinitrophenyl)sulfanylacetic acid.
Chemical Property Profile of Picrylthioglycolic acid
Property Insights of Picrylthioglycolic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Picrylthioglycolic acid. The TPSA of 200.0 Ų indicates high polarity, suggesting Picrylthioglycolic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Picrylthioglycolic acid has 1 hydrogen bond donor(s) and 9 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 Picrylthioglycolic acid?
The CAS number of Picrylthioglycolic acid is 77092-93-4.
What is the molecular formula of Picrylthioglycolic acid?
The molecular formula of Picrylthioglycolic acid is C8H5N3O8S.
What is the molecular weight of Picrylthioglycolic acid?
The molecular weight of Picrylthioglycolic acid is 302.98 g/mol.
Where can I buy Picrylthioglycolic acid?
You can request a quote for Picrylthioglycolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Picrylthioglycolic acid?
Yes, KEHONG BIO provides custom synthesis services for Picrylthioglycolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.