3-Benzyl-5-phenethyl-1,3,5-thiadiazinane-2-thione
TL;DR: 3-Benzyl-5-phenethyl-1,3,5-thiadiazinane-2-thione (CAS 154200-54-1) is a chemical compound with molecular formula C18H20N2S2 and molecular weight 328.10678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-5-(2-phenylethyl)-1,3,5-thiadiazinane-2-thione
Also Known As: 3-benzyl-5-phenethyl-1,3,5-thiadiazinane-2-thione, 3-benzyl-5-(2-phenylethyl)-1,3,5-thiadiazinane-2-thione, F0547-0173, Tetrahydro-3-benzyl-5-(2-phenylethyl)-2H-1,3,5-thiadiazine-2-thione
Technical Specifications
| Molecular Formula | C18H20N2S2 |
| Molecular Weight | 328.10678 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.10678 Da |
| Heavy Atoms | 22 |
| Complexity | 349.0 |
| SMILES | C1N(CSC(=S)N1CC2=CC=CC=C2)CCC3=CC=CC=C3 |
| InChIKey | SWSBLFQOONPXFJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Benzyl-5-phenethyl-1,3,5-thiadiazinane-2-thione
Property Insights of 3-Benzyl-5-phenethyl-1,3,5-thiadiazinane-2-thione
The XLogP value of 4.7 indicates that 3-Benzyl-5-phenethyl-1,3,5-thiadiazinane-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-Benzyl-5-phenethyl-1,3,5-thiadiazinane-2-thione. Following Lipinski's Rule of Five, 3-Benzyl-5-phenethyl-1,3,5-thiadiazinane-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-Benzyl-5-phenethyl-1,3,5-thiadiazinane-2-thione?
The CAS number of 3-Benzyl-5-phenethyl-1,3,5-thiadiazinane-2-thione is 154200-54-1.
What is the molecular formula of 3-Benzyl-5-phenethyl-1,3,5-thiadiazinane-2-thione?
The molecular formula of 3-Benzyl-5-phenethyl-1,3,5-thiadiazinane-2-thione is C18H20N2S2.
What is the molecular weight of 3-Benzyl-5-phenethyl-1,3,5-thiadiazinane-2-thione?
The molecular weight of 3-Benzyl-5-phenethyl-1,3,5-thiadiazinane-2-thione is 328.10678 g/mol.
Where can I buy 3-Benzyl-5-phenethyl-1,3,5-thiadiazinane-2-thione?
You can request a quote for 3-Benzyl-5-phenethyl-1,3,5-thiadiazinane-2-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Benzyl-5-phenethyl-1,3,5-thiadiazinane-2-thione?
Yes, CoreyChem provides custom synthesis services for 3-Benzyl-5-phenethyl-1,3,5-thiadiazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.