1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)-
TL;DR: 1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)- (CAS 59395-35-6) 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.
5,5-dimethyl-2-(4-methylphenyl)-1,2,4-triazolidine-3-thione
Also Known As: 5,5-Dimethyl-2-(4-methylphenyl)-1,2,4-triazolidine-3-thione, 1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)-, 3,3-Dimethyl-1-(4-methylphenyl)-1,2,4-triazolidin-5-thion, 3,3-Dimethyl-1-(4-methylphenyl)-1,2,4-triazolidin-5-thion [German], RefChem:215076
| Molecular Formula | C11H15N3S |
|---|---|
| Molecular Weight | 221.10 g/mol |
| LogP | 1.93022 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.09866 |
| Heavy Atoms | 15 |
| Complexity | 383.32443 |
Chemical Identifiers
| CAS Number | 59395-35-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=S)NC(N2)(C)C |
Product Overview
1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)- (CAS 59395-35-6), with molecular formula C11H15N3S and molecular weight 221.10 g/mol. IUPAC: 5,5-dimethyl-2-(4-methylphenyl)-1,2,4-triazolidine-3-thione.
Chemical Property Profile of 1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)-
Property Insights of 1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)-
The XLogP value of 1.93022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)-. With a topological polar surface area (TPSA) of 27.3 Ų, 1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)- 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 1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)-?
The CAS number of 1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)- is 59395-35-6.
What is the molecular formula of 1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)-?
The molecular formula of 1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)- is C11H15N3S.
What is the molecular weight of 1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)-?
The molecular weight of 1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)- is 221.10 g/mol.
Where can I buy 1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)-?
You can request a quote for 1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolidine-3-thione, 5,5-dimethyl-2-(4-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.