2-Quinazolin-2-ylthioacetic acid
TL;DR: 2-Quinazolin-2-ylthioacetic acid (CAS 125416-69-5) is a chemical compound with molecular formula C10H8N2O2S and molecular weight 220.03065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-quinazolin-2-ylsulfanylacetic acid
Also Known As: (2-quinazolinylthio)acetic acid, 2-quinazolin-2-ylsulfanylacetic Acid, 2-quinazolin-2-ylthioacetic acid, Acetic acid, 2-(2-quinazolinylthio)-, 2-(Quinazolin-2-ylthio)acetic acid
Technical Specifications
| Molecular Formula | C10H8N2O2S |
| Molecular Weight | 220.03065 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.03065 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | C1=CC=C2C(=C1)C=NC(=N2)SCC(=O)O |
| InChIKey | SFPDQRUKNWBHSC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Quinazolin-2-ylthioacetic acid
Property Insights of 2-Quinazolin-2-ylthioacetic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Quinazolin-2-ylthioacetic acid. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Quinazolin-2-ylthioacetic acid. Following Lipinski's Rule of Five, 2-Quinazolin-2-ylthioacetic acid has 1 hydrogen bond donor(s) and 5 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-Quinazolin-2-ylthioacetic acid?
The CAS number of 2-Quinazolin-2-ylthioacetic acid is 125416-69-5.
What is the molecular formula of 2-Quinazolin-2-ylthioacetic acid?
The molecular formula of 2-Quinazolin-2-ylthioacetic acid is C10H8N2O2S.
What is the molecular weight of 2-Quinazolin-2-ylthioacetic acid?
The molecular weight of 2-Quinazolin-2-ylthioacetic acid is 220.03065 g/mol.
Where can I buy 2-Quinazolin-2-ylthioacetic acid?
You can request a quote for 2-Quinazolin-2-ylthioacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Quinazolin-2-ylthioacetic acid?
Yes, CoreyChem provides custom synthesis services for 2-Quinazolin-2-ylthioacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.