4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 13254-53-0) is a chemical compound with molecular formula C8H7ClN4S and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol, TIMTEC-BB SBB000674, 4-amino-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione, 5959AA, 4-AMINO-3-MERCAPTO-5-(2-CHLOROPHENYL)-[1,2,4-]TRIAZOLE
| Molecular Formula | C8H7ClN4S |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.008 |
| Heavy Atoms | 14 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 13254-53-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NNC(=S)N2N)Cl |
| InChIKey | LCHRECYVKFDKAP-UHFFFAOYSA-N |
Product Overview
4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 13254-53-0), with molecular formula C8H7ClN4S and molecular weight 226.01 g/mol. IUPAC: 4-amino-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol is 13254-53-0.
What is the molecular formula of 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol is C8H7ClN4S.
What is the molecular weight of 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol is 226.01 g/mol.
Where can I buy 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.