![3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole structure](/static/products/899/899012-15-8.png)
3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole
TL;DR: 3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole (CAS 899012-15-8) is a chemical compound with molecular formula C12H14ClN3S and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole
Also Known As: 3-[(3-chlorobenzyl)sulfanyl]-4-ethyl-5-methyl-4H-1,2,4-triazole, 3-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole, 5-[(3-chlorophenyl)methylthio]-4-ethyl-3-methyl-1,2,4-triazole
| Molecular Formula | C12H14ClN3S |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 3.55212 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.0597 |
| Heavy Atoms | 17 |
| Complexity | 510.2019 |
Chemical Identifiers
| CAS Number | 899012-15-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC(=CC=C2)Cl)C |
Product Overview
3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole (CAS 899012-15-8), with molecular formula C12H14ClN3S and molecular weight 267.06 g/mol. IUPAC: 3-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole.
Chemical Property Profile of 3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole
Property Insights of 3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole
The XLogP value of 3.55212 indicates that 3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole has 0 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-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole?
The CAS number of 3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole is 899012-15-8.
What is the molecular formula of 3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole?
The molecular formula of 3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole is C12H14ClN3S.
What is the molecular weight of 3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole?
The molecular weight of 3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole is 267.06 g/mol.
Where can I buy 3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole?
You can request a quote for 3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Chlorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.