![[(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid structure](/static/products/1144/114402-22-1.webp)
[(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid
TL;DR: [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid (CAS 114402-22-1) is a chemical compound with molecular formula C10H10N4O2S and molecular weight 250.05244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid|2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid|9485AC|[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid|2-((4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid|2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid|SR-01000269781-1|[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid|4-Amino-5-phenyl-3-carboxymethylthio-1,2,4-triazole|2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetic acid|(4-Amino-5-phenyl-4H-1,2,4-triazole-3-ylthio)acetic acid|[(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-aceticacid|2-((4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)aceticacid|(4-Amino-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)acetic acid|2-(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanylacetic Acid|2-[[5-Phenyl-4-amino-4H-1,2,4-triazol-3-yl]thio]acetic acid|PEA40222|SBB079496|ST50426649|EN300-111069
Technical Specifications
| Molecular Formula | C10H10N4O2S |
| Molecular Weight | 250.05244 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.05244 Da |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)O |
| InChIKey | MXKJHOYDQUYSEW-UHFFFAOYSA-N |
Chemical Property Profile of [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid
Property Insights of [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid. Following Lipinski's Rule of Five, [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-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 [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid?
The CAS number of [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid is 114402-22-1.
What is the molecular formula of [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid?
The molecular formula of [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid is C10H10N4O2S.
What is the molecular weight of [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid?
The molecular weight of [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid is 250.05244 g/mol.
Where can I buy [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid?
You can request a quote for [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid?
Yes, CoreyChem provides custom synthesis services for [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.