5,5-Diethyl-2-phenyl-1,2,4-triazolidine-3-thione
TL;DR: 5,5-Diethyl-2-phenyl-1,2,4-triazolidine-3-thione (CAS 39263-78-0) is a chemical compound with molecular formula C12H17N3S and molecular weight 235.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-2-phenyl-1,2,4-triazolidine-3-thione
Also Known As: ChemDiv1_027667, 5,5-diethyl-2-phenyl-1,2,4-triazolidine-3-thione, 5,5-diethyl-2-phenyl-[1,2,4]triazolidine-3-thione, 5,5-diethyl-2-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
| Molecular Formula | C12H17N3S |
|---|---|
| Molecular Weight | 235.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.11432 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 39263-78-0 |
|---|---|
| SMILES | CCC1(NC(=S)N(N1)C2=CC=CC=C2)CC |
| InChIKey | MJCTZGPFYYZDSK-UHFFFAOYSA-N |
Product Overview
5,5-Diethyl-2-phenyl-1,2,4-triazolidine-3-thione (CAS 39263-78-0), with molecular formula C12H17N3S and molecular weight 235.11 g/mol. IUPAC: 5,5-diethyl-2-phenyl-1,2,4-triazolidine-3-thione.
Chemical Property Profile of 5,5-Diethyl-2-phenyl-1,2,4-triazolidine-3-thione
Property Insights of 5,5-Diethyl-2-phenyl-1,2,4-triazolidine-3-thione
The XLogP value of 3.0 indicates that 5,5-Diethyl-2-phenyl-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 59.4 Ų, 5,5-Diethyl-2-phenyl-1,2,4-triazolidine-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Diethyl-2-phenyl-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 5,5-Diethyl-2-phenyl-1,2,4-triazolidine-3-thione?
The CAS number of 5,5-Diethyl-2-phenyl-1,2,4-triazolidine-3-thione is 39263-78-0.
What is the molecular formula of 5,5-Diethyl-2-phenyl-1,2,4-triazolidine-3-thione?
The molecular formula of 5,5-Diethyl-2-phenyl-1,2,4-triazolidine-3-thione is C12H17N3S.
What is the molecular weight of 5,5-Diethyl-2-phenyl-1,2,4-triazolidine-3-thione?
The molecular weight of 5,5-Diethyl-2-phenyl-1,2,4-triazolidine-3-thione is 235.11 g/mol.
Where can I buy 5,5-Diethyl-2-phenyl-1,2,4-triazolidine-3-thione?
You can request a quote for 5,5-Diethyl-2-phenyl-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 5,5-Diethyl-2-phenyl-1,2,4-triazolidine-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Diethyl-2-phenyl-1,2,4-triazolidine-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.