1-Benzyl-5-ethyl-1,3,5-triazinane-2-thione
TL;DR: 1-Benzyl-5-ethyl-1,3,5-triazinane-2-thione (CAS 60376-62-7) 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.
1-benzyl-5-ethyl-1,3,5-triazinane-2-thione
Also Known As: 1-benzyl-5-ethyl-1,3,5-triazinane-2-thione, 5-ethyl-1-(phenylmethyl)-1,3,5-triazinane-2-thione, 1-Benzyl-5-ethyl-[1,3,5]triazinane-2-thione
| Molecular Formula | C12H17N3S |
|---|---|
| Molecular Weight | 235.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.11432 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 60376-62-7 |
|---|---|
| SMILES | CCN1CNC(=S)N(C1)CC2=CC=CC=C2 |
| InChIKey | CEOWFRFECJRZCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-5-ethyl-1,3,5-triazinane-2-thione (CAS 60376-62-7), with molecular formula C12H17N3S and molecular weight 235.11 g/mol. IUPAC: 1-benzyl-5-ethyl-1,3,5-triazinane-2-thione.
Chemical Property Profile of 1-Benzyl-5-ethyl-1,3,5-triazinane-2-thione
Property Insights of 1-Benzyl-5-ethyl-1,3,5-triazinane-2-thione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-5-ethyl-1,3,5-triazinane-2-thione. With a topological polar surface area (TPSA) of 50.6 Ų, 1-Benzyl-5-ethyl-1,3,5-triazinane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-5-ethyl-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 1-Benzyl-5-ethyl-1,3,5-triazinane-2-thione?
The CAS number of 1-Benzyl-5-ethyl-1,3,5-triazinane-2-thione is 60376-62-7.
What is the molecular formula of 1-Benzyl-5-ethyl-1,3,5-triazinane-2-thione?
The molecular formula of 1-Benzyl-5-ethyl-1,3,5-triazinane-2-thione is C12H17N3S.
What is the molecular weight of 1-Benzyl-5-ethyl-1,3,5-triazinane-2-thione?
The molecular weight of 1-Benzyl-5-ethyl-1,3,5-triazinane-2-thione is 235.11 g/mol.
Where can I buy 1-Benzyl-5-ethyl-1,3,5-triazinane-2-thione?
You can request a quote for 1-Benzyl-5-ethyl-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 1-Benzyl-5-ethyl-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-5-ethyl-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.