2-(7H-purin-8-ylsulfanyl)acetic acid
TL;DR: 2-(7H-purin-8-ylsulfanyl)acetic acid (CAS 102170-07-0) 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-8-ylsulfanyl)acetic acid
Also Known As: (7h-purin-8-ylsulfanyl)acetic acid, Acetic acid, 2-(9H-purin-8-ylthio)-, 2-(7H-purin-8-ylsulfanyl)acetic acid
Technical Specifications
| Molecular Formula | C7H6N4O2S |
| Molecular Weight | 210.02115 g/mol |
| XLogP | 0.5 |
| 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=C2C(=NC=N1)N=C(N2)SCC(=O)O |
| InChIKey | ZXXTYTLIUHVHHW-UHFFFAOYSA-N |
Chemical Property Profile of 2-(7H-purin-8-ylsulfanyl)acetic acid
Property Insights of 2-(7H-purin-8-ylsulfanyl)acetic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(7H-purin-8-ylsulfanyl)acetic acid. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7H-purin-8-ylsulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-(7H-purin-8-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 2-(7H-purin-8-ylsulfanyl)acetic acid?
The CAS number of 2-(7H-purin-8-ylsulfanyl)acetic acid is 102170-07-0.
What is the molecular formula of 2-(7H-purin-8-ylsulfanyl)acetic acid?
The molecular formula of 2-(7H-purin-8-ylsulfanyl)acetic acid is C7H6N4O2S.
What is the molecular weight of 2-(7H-purin-8-ylsulfanyl)acetic acid?
The molecular weight of 2-(7H-purin-8-ylsulfanyl)acetic acid is 210.02115 g/mol.
Where can I buy 2-(7H-purin-8-ylsulfanyl)acetic acid?
You can request a quote for 2-(7H-purin-8-ylsulfanyl)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(7H-purin-8-ylsulfanyl)acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-(7H-purin-8-ylsulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.