3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione
TL;DR: 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione (CAS 6996-09-4) is a chemical compound with molecular formula C11H22N2S2 and molecular weight 246.12244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dibutyl-1,3,5-thiadiazinane-2-thione
Also Known As: 3,5-dibutyl-1,3,5-thiadiazinane-2-thione, 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dibutyl-, 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione, 4-27-00-07437 (Beilstein Handbook Reference), Tetrahydro-3,5-dibutyl-2H-1,3,5-thiadiazine-2-thione
Technical Specifications
| Molecular Formula | C11H22N2S2 |
| Molecular Weight | 246.12244 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 246.12244 Da |
| Heavy Atoms | 15 |
| Complexity | 197.0 |
| SMILES | CCCCN1CN(C(=S)SC1)CCCC |
| InChIKey | IFDIJNHAPXUYDX-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione
Property Insights of 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione
The XLogP value of 3.8 indicates that 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione. Following Lipinski's Rule of Five, 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione?
The CAS number of 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione is 6996-09-4.
What is the molecular formula of 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione?
The molecular formula of 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione is C11H22N2S2.
What is the molecular weight of 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione?
The molecular weight of 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione is 246.12244 g/mol.
Where can I buy 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione?
You can request a quote for 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione?
Yes, CoreyChem provides custom synthesis services for 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.