![5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol structure](/static/products/3333/333313-76-1.webp)
5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol
TL;DR: 5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol (CAS 333313-76-1) is a chemical compound with molecular formula C12H15ClN4S and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chloro-4-methylanilino)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol, ASN 02138588, 5-(((3-Chloro-4-methylphenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol, 3-[(3-chloro-4-methylanilino)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione, 5-[ -METHYL]-4-ETHYL-4H-[1,2,4]TRIAZOLE-3-THIOL
| Molecular Formula | C12H15ClN4S |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 3.53451 |
| Topological Polar Surface Area | 45.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.0706 |
| Heavy Atoms | 18 |
| Complexity | 602.3652 |
Chemical Identifiers
| CAS Number | 333313-76-1 |
|---|---|
| SMILES | CCN1C(=NNC1=S)CNC2=CC(=C(C=C2)C)Cl |
Product Overview
5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol (CAS 333313-76-1), with molecular formula C12H15ClN4S and molecular weight 282.07 g/mol. IUPAC: 3-[(3-chloro-4-methylanilino)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol
Property Insights of 5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol
The XLogP value of 3.53451 indicates that 5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.64 Ų, 5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-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 5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol?
The CAS number of 5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol is 333313-76-1.
What is the molecular formula of 5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol is C12H15ClN4S.
What is the molecular weight of 5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol is 282.07 g/mol.
Where can I buy 5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-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-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.