(9H-Purin-6-ylsulfanyl)-acetic acid
TL;DR: (9H-Purin-6-ylsulfanyl)-acetic acid (CAS 138716-36-6) is a chemical compound with molecular formula C7H6N4O2S and molecular weight 210.02115 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(7H-purin-6-ylsulfanyl)acetic acid
Also Known As: (9H-Purin-6-ylsulfanyl)-acetic acid, 2-(7H-purin-6-ylsulfanyl)acetic acid, (9H-Purin-6-ylthio)acetic acid, (9H-purin-6-ylsulfanyl)acetic acid, 2-purin-6-ylthioacetic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6N4O2S |
| Molecular Weight | 210.02115 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.02115 Da |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
| SMILES | C1=NC2=C(N1)C(=NC=N2)SCC(=O)O |
| InChIKey | YEAVVSQWYLAGNC-UHFFFAOYSA-N |
Chemical Property Profile of (9H-Purin-6-ylsulfanyl)-acetic acid
Property Insights of (9H-Purin-6-ylsulfanyl)-acetic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (9H-Purin-6-ylsulfanyl)-acetic acid. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (9H-Purin-6-ylsulfanyl)-acetic acid. Following Lipinski's Rule of Five, (9H-Purin-6-ylsulfanyl)-acetic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (9H-Purin-6-ylsulfanyl)-acetic acid?
The CAS number of (9H-Purin-6-ylsulfanyl)-acetic acid is 138716-36-6.
What is the molecular formula of (9H-Purin-6-ylsulfanyl)-acetic acid?
The molecular formula of (9H-Purin-6-ylsulfanyl)-acetic acid is C7H6N4O2S.
What is the molecular weight of (9H-Purin-6-ylsulfanyl)-acetic acid?
The molecular weight of (9H-Purin-6-ylsulfanyl)-acetic acid is 210.02115 g/mol.
Where can I buy (9H-Purin-6-ylsulfanyl)-acetic acid?
You can request a quote for (9H-Purin-6-ylsulfanyl)-acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (9H-Purin-6-ylsulfanyl)-acetic acid?
Yes, CoreyChem provides custom synthesis services for (9H-Purin-6-ylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.