5-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione
TL;DR: 5-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione (CAS 369394-68-3) is a chemical compound with molecular formula C13H18ClN3S and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione
Also Known As: ChemDiv1_023154, 5-butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione, A2478/0105268, 5-butyl-2-(4-chlorophenyl)-5-methyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
| Molecular Formula | C13H18ClN3S |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 3.4455 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.091 |
| Heavy Atoms | 18 |
| Complexity | 434.36743 |
Chemical Identifiers
| CAS Number | 369394-68-3 |
|---|---|
| SMILES | CCCCC1(NC(=S)N(N1)C2=CC=C(C=C2)Cl)C |
Product Overview
5-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione (CAS 369394-68-3), with molecular formula C13H18ClN3S and molecular weight 283.09 g/mol. IUPAC: 5-butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione.
Chemical Property Profile of 5-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione
Property Insights of 5-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione
The XLogP value of 3.4455 indicates that 5-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, 5-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione has 2 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 5-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione?
The CAS number of 5-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione is 369394-68-3.
What is the molecular formula of 5-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione?
The molecular formula of 5-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione is C13H18ClN3S.
What is the molecular weight of 5-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione?
The molecular weight of 5-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione is 283.09 g/mol.
Where can I buy 5-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione?
You can request a quote for 5-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-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-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.