5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 81863-77-6) is a chemical compound with molecular formula C16H14ClN3OS2 and molecular weight 363.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)sulfanylmethyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-[(4-chlorophenyl)sulfanylmethyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione, 3-[(4-chlorophenyl)sulfanylmethyl]-4-(4-methoxyphenyl)-1H-1,, 3-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione, 5-{[(4-Chlorophenyl)sulfanyl]methyl}-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H14ClN3OS2 |
|---|---|
| Molecular Weight | 363.03 g/mol |
| LogP | 4.88419 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.02667 |
| Heavy Atoms | 23 |
| Complexity | 841.01196 |
Chemical Identifiers
| CAS Number | 81863-77-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NNC2=S)CSC3=CC=C(C=C3)Cl |
Product Overview
5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 81863-77-6), with molecular formula C16H14ClN3OS2 and molecular weight 363.03 g/mol. IUPAC: 3-[(4-chlorophenyl)sulfanylmethyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 4.88419 indicates that 5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-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, 5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione has 1 hydrogen bond donor(s) and 4 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-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 81863-77-6.
What is the molecular formula of 5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C16H14ClN3OS2.
What is the molecular weight of 5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 363.03 g/mol.
Where can I buy 5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(((4-Chlorophenyl)thio)methyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.