5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 370855-34-8) is a chemical compound with molecular formula C10H10ClN3OS and molecular weight 255.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-2-methoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol, O2-methylthymidine, BUTTPARK 83\07-41, SDCCGMLS-0065189.P001, 3-(5-chloro-2-methoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C10H10ClN3OS |
|---|---|
| Molecular Weight | 255.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.02332 |
| Heavy Atoms | 16 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 370855-34-8 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=C(C=CC(=C2)Cl)OC |
| InChIKey | VHILZAPMAFFGCD-UHFFFAOYSA-N |
Product Overview
5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 370855-34-8), with molecular formula C10H10ClN3OS and molecular weight 255.02 g/mol. IUPAC: 3-(5-chloro-2-methoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol has 1 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 5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol is 370855-34-8.
What is the molecular formula of 5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol is C10H10ClN3OS.
What is the molecular weight of 5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol is 255.02 g/mol.
Where can I buy 5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(5-chloro-2-methoxyphenyl)-4-methyl-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 5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.