3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl-
TL;DR: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl- (CAS 110623-26-2) is a chemical compound with molecular formula C11H12ClN3S and molecular weight 253.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-4-ethyl-2-methyl-1,2,4-triazole-3-thione
Also Known As: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl-, 2,4-Dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl-3H-1,2,4-triazole-3-thione, 5-(4-chlorophenyl)-4-ethyl-2-methyl-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione,5-(4-chlorophenyl)-4-ethyl-2,4-dihydro-2-methyl-, 5-(4-Chlorophenyl)-2,4-Dimethyl-3H-1,2,4-Triazole-3-Thione
| Molecular Formula | C11H12ClN3S |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 3.29139 |
| Topological Polar Surface Area | 22.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.04405 |
| Heavy Atoms | 16 |
| Complexity | 553.59894 |
Chemical Identifiers
| CAS Number | 110623-26-2 |
|---|---|
| SMILES | CCN1C(=NN(C1=S)C)C2=CC=C(C=C2)Cl |
Product Overview
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl- (CAS 110623-26-2), with molecular formula C11H12ClN3S and molecular weight 253.04 g/mol. IUPAC: 5-(4-chlorophenyl)-4-ethyl-2-methyl-1,2,4-triazole-3-thione.
Chemical Property Profile of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl-
Property Insights of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl-
The XLogP value of 3.29139 indicates that 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.75 Ų, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl- has 0 hydrogen bond donor(s) and 2 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 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl-?
The CAS number of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl- is 110623-26-2.
What is the molecular formula of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl-?
The molecular formula of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl- is C11H12ClN3S.
What is the molecular weight of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl-?
The molecular weight of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl- is 253.04 g/mol.
Where can I buy 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl-?
You can request a quote for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.