![5-Isopropyl-5-methyl-2-phenyl-[1,2,4]triazolidine-3-thione structure](/static/products/4305/43057-33-6.webp)
5-Isopropyl-5-methyl-2-phenyl-[1,2,4]triazolidine-3-thione
TL;DR: 5-Isopropyl-5-methyl-2-phenyl-[1,2,4]triazolidine-3-thione (CAS 43057-33-6) 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-methyl-2-phenyl-5-propan-2-yl-1,2,4-triazolidine-3-thione
Also Known As: BAS 00395391, 5-Isopropyl-5-methyl-2-phenyl-[1,2,4]triazolidine-3-thione, 5-methyl-2-phenyl-5-propan-2-yl-1,2,4-triazolidine-3-thione, AB00084194-01, 5-isopropyl-5-methyl-2-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
| Molecular Formula | C12H17N3S |
|---|---|
| Molecular Weight | 235.11 g/mol |
| LogP | 2.2579 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.11432 |
| Heavy Atoms | 16 |
| Complexity | 390.51016 |
Chemical Identifiers
| CAS Number | 43057-33-6 |
|---|---|
| SMILES | CC(C)C1(NC(=S)N(N1)C2=CC=CC=C2)C |
Product Overview
5-Isopropyl-5-methyl-2-phenyl-[1,2,4]triazolidine-3-thione (CAS 43057-33-6), with molecular formula C12H17N3S and molecular weight 235.11 g/mol. IUPAC: 5-methyl-2-phenyl-5-propan-2-yl-1,2,4-triazolidine-3-thione.
Chemical Property Profile of 5-Isopropyl-5-methyl-2-phenyl-[1,2,4]triazolidine-3-thione
Property Insights of 5-Isopropyl-5-methyl-2-phenyl-[1,2,4]triazolidine-3-thione
The XLogP value of 2.2579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isopropyl-5-methyl-2-phenyl-[1,2,4]triazolidine-3-thione. With a topological polar surface area (TPSA) of 27.3 Ų, 5-Isopropyl-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-Isopropyl-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-Isopropyl-5-methyl-2-phenyl-[1,2,4]triazolidine-3-thione?
The CAS number of 5-Isopropyl-5-methyl-2-phenyl-[1,2,4]triazolidine-3-thione is 43057-33-6.
What is the molecular formula of 5-Isopropyl-5-methyl-2-phenyl-[1,2,4]triazolidine-3-thione?
The molecular formula of 5-Isopropyl-5-methyl-2-phenyl-[1,2,4]triazolidine-3-thione is C12H17N3S.
What is the molecular weight of 5-Isopropyl-5-methyl-2-phenyl-[1,2,4]triazolidine-3-thione?
The molecular weight of 5-Isopropyl-5-methyl-2-phenyl-[1,2,4]triazolidine-3-thione is 235.11 g/mol.
Where can I buy 5-Isopropyl-5-methyl-2-phenyl-[1,2,4]triazolidine-3-thione?
You can request a quote for 5-Isopropyl-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-Isopropyl-5-methyl-2-phenyl-[1,2,4]triazolidine-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Isopropyl-5-methyl-2-phenyl-[1,2,4]triazolidine-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.