5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide
TL;DR: 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide (CAS 163071-43-0) is a chemical compound with molecular formula C9H9N5S and molecular weight 219.05786 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-1-phenyltriazole-4-carbothioamide
Also Known As: 5-amino-1-phenyltriazole-4-carbothioamide, 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide, AO-638/15167068, 5-Amino-1-phenyl-1H-[1,2,3]triazole-4-carbothioic acid amide, 3-(4-Methoxy-phenyl)-5-pyridin-2-yl-3H-[1,2,3]triazol-4-ylamine
Technical Specifications
| Molecular Formula | C9H9N5S |
| Molecular Weight | 219.05786 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.05786 Da |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
| SMILES | C1=CC=C(C=C1)N2C(=C(N=N2)C(=S)N)N |
| InChIKey | ZRBVGESRZGWXOT-UHFFFAOYSA-N |
Chemical Property Profile of 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide
Property Insights of 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide. Following Lipinski's Rule of Five, 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide?
The CAS number of 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide is 163071-43-0.
What is the molecular formula of 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide?
The molecular formula of 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide is C9H9N5S.
What is the molecular weight of 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide?
The molecular weight of 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide is 219.05786 g/mol.
Where can I buy 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide?
You can request a quote for 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.