5-Ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione
TL;DR: 5-Ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione (CAS 39263-69-9) is a chemical compound with molecular formula C11H15N3S and molecular weight 221.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione
Also Known As: ChemDiv3_003633, 5-ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione, IDI1_021543, J2.740.199F, AB00084192-01
| Molecular Formula | C11H15N3S |
|---|---|
| Molecular Weight | 221.10 g/mol |
| LogP | 2.0119 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.09866 |
| Heavy Atoms | 15 |
| Complexity | 365.3556 |
Chemical Identifiers
| CAS Number | 39263-69-9 |
|---|---|
| SMILES | CCC1(NC(=S)N(N1)C2=CC=CC=C2)C |
Product Overview
5-Ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione (CAS 39263-69-9), with molecular formula C11H15N3S and molecular weight 221.10 g/mol. IUPAC: 5-ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione.
Chemical Property Profile of 5-Ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione
Property Insights of 5-Ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione
The XLogP value of 2.0119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione. With a topological polar surface area (TPSA) of 27.3 Ų, 5-Ethyl-5-methyl-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-Ethyl-5-methyl-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-Ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione?
The CAS number of 5-Ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione is 39263-69-9.
What is the molecular formula of 5-Ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione?
The molecular formula of 5-Ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione is C11H15N3S.
What is the molecular weight of 5-Ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione?
The molecular weight of 5-Ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione is 221.10 g/mol.
Where can I buy 5-Ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione?
You can request a quote for 5-Ethyl-5-methyl-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-Ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.