![3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione structure](/static/products/7500/75000-59-8.webp)
3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione (CAS 75000-59-8) is a chemical compound with molecular formula C16H14ClN3OS and molecular weight 331.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-((2-CHLOROPHENOXY)METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE, 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione, AO-990/15068080, 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione, 5-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C16H14ClN3OS |
|---|---|
| Molecular Weight | 331.05 g/mol |
| LogP | 4.47071 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.0546 |
| Heavy Atoms | 22 |
| Complexity | 839.0973 |
Chemical Identifiers
| CAS Number | 75000-59-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=CC=C3Cl |
Product Overview
3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione (CAS 75000-59-8), with molecular formula C16H14ClN3OS and molecular weight 331.05 g/mol. IUPAC: 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 4.47071 indicates that 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.84 Ų, 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione 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 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione is 75000-59-8.
What is the molecular formula of 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione is C16H14ClN3OS.
What is the molecular weight of 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione is 331.05 g/mol.
Where can I buy 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-chlorophenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.