2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione
TL;DR: 2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione (CAS 115029-47-5) is a chemical compound with molecular formula C6H13N3S and molecular weight 159.08302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,5,5-tetramethyl-1,2,4-triazolidine-3-thione
Also Known As: 2,4,5,5-tetramethyl-1,2,4-triazolidine-3-thione, 1,2,4-Triazolidine-3-thione, 2,4,5,5-tetramethyl-, 1,3,5-trinitro-1,3,5-triazacyclohexan-2-one, 2,4,5,5-Tetramethyl-[1,2,4]triazolidine-3-thione
Technical Specifications
| Molecular Formula | C6H13N3S |
| Molecular Weight | 159.08302 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.08302 Da |
| Heavy Atoms | 10 |
| Complexity | 166.0 |
| SMILES | CC1(NN(C(=S)N1C)C)C |
| InChIKey | DBKIGYJIJSFQDX-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione
Property Insights of 2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione. With a topological polar surface area (TPSA) of 50.6 Ų, 2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione?
The CAS number of 2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione is 115029-47-5.
What is the molecular formula of 2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione?
The molecular formula of 2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione is C6H13N3S.
What is the molecular weight of 2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione?
The molecular weight of 2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione is 159.08302 g/mol.
Where can I buy 2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione?
You can request a quote for 2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione?
Yes, CoreyChem provides custom synthesis services for 2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.