![5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol structure](/static/products/1177/1177318-36-3.webp)
5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 1177318-36-3) is a chemical compound with molecular formula C10H10ClN3OS and molecular weight 255.02332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-chlorophenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol, BAS 08850161, UPCMLD0ENAT5292114:001, 3-[(prop-2-ynylamino)sulfonyl]benzoic acid, 3-[(2-chlorophenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
Technical Specifications
| Molecular Formula | C10H10ClN3OS |
| Molecular Weight | 255.02332 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.02332 Da |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
| SMILES | CN1C(=NNC1=S)COC2=CC=CC=C2Cl |
| InChIKey | GRAGFJHCOHGUHJ-UHFFFAOYSA-N |
Chemical Property Profile of 5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2-chlorophenoxy)methyl]-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-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-[(2-chlorophenoxy)methyl]-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
What is the CAS number of 5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol is 1177318-36-3.
What is the molecular formula of 5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol is C10H10ClN3OS.
What is the molecular weight of 5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol is 255.02332 g/mol.
Where can I buy 5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.