5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione
TL;DR: 5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione (CAS 678539-34-9) is a chemical compound with molecular formula C18H21N3S and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione
Also Known As: ChemDiv3_005250, 5-benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione, IDI1_023160
| Molecular Formula | C18H21N3S |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.14563 |
| Heavy Atoms | 22 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 678539-34-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2CN(CNC2=S)CC3=CC=CC=C3 |
| InChIKey | RMFADYCBNDNXCZ-UHFFFAOYSA-N |
Product Overview
5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione (CAS 678539-34-9), with molecular formula C18H21N3S and molecular weight 311.15 g/mol. IUPAC: 5-benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione.
Chemical Property Profile of 5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione
Property Insights of 5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione
The XLogP value of 4.0 indicates that 5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-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
Frequently Asked Questions
What is the CAS number of 5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione?
The CAS number of 5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione is 678539-34-9.
What is the molecular formula of 5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione?
The molecular formula of 5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione is C18H21N3S.
What is the molecular weight of 5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione?
The molecular weight of 5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione is 311.15 g/mol.
Where can I buy 5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione?
You can request a quote for 5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-1-(4-ethylphenyl)-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.