2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone
TL;DR: 2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone (CAS 127399-30-8) is a chemical compound with molecular formula C16H13ClN4OS and molecular weight 344.04987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: 2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone, 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone, 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone, 2-{[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Technical Specifications
| Molecular Formula | C16H13ClN4OS |
| Molecular Weight | 344.04987 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.04987 Da |
| Heavy Atoms | 23 |
| Complexity | 408.0 |
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Cl |
| InChIKey | ZAOONPBUMZVYPI-UHFFFAOYSA-N |
Chemical Property Profile of 2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone
Property Insights of 2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone
The XLogP value of 3.7 indicates that 2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone. Following Lipinski's Rule of Five, 2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone 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-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone?
The CAS number of 2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone is 127399-30-8.
What is the molecular formula of 2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone?
The molecular formula of 2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone is C16H13ClN4OS.
What is the molecular weight of 2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone?
The molecular weight of 2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone is 344.04987 g/mol.
Where can I buy 2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone?
You can request a quote for 2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone?
Yes, CoreyChem provides custom synthesis services for 2-((4-Amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl)thio)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.