5-Benzyl-1-phenyl-1,3,5-triazinane-2-thione
TL;DR: 5-Benzyl-1-phenyl-1,3,5-triazinane-2-thione (CAS 332389-29-4) is a chemical compound with molecular formula C16H17N3S and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-1-phenyl-1,3,5-triazinane-2-thione
Also Known As: 5-benzyl-1-phenyl-1,3,5-triazinane-2-thione, BAS 01550365, BIM-0017707.P001, 5-Benzyl-1-phenyl-[1,3,5]triazinane-2-thione, AB00102241-01
| Molecular Formula | C16H17N3S |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.11432 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 332389-29-4 |
|---|---|
| SMILES | C1NC(=S)N(CN1CC2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | ZMTQGXKQAACOLK-UHFFFAOYSA-N |
Product Overview
5-Benzyl-1-phenyl-1,3,5-triazinane-2-thione (CAS 332389-29-4), with molecular formula C16H17N3S and molecular weight 283.11 g/mol. IUPAC: 5-benzyl-1-phenyl-1,3,5-triazinane-2-thione.
Chemical Property Profile of 5-Benzyl-1-phenyl-1,3,5-triazinane-2-thione
Property Insights of 5-Benzyl-1-phenyl-1,3,5-triazinane-2-thione
The XLogP value of 3.2 indicates that 5-Benzyl-1-phenyl-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-phenyl-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-phenyl-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-phenyl-1,3,5-triazinane-2-thione?
The CAS number of 5-Benzyl-1-phenyl-1,3,5-triazinane-2-thione is 332389-29-4.
What is the molecular formula of 5-Benzyl-1-phenyl-1,3,5-triazinane-2-thione?
The molecular formula of 5-Benzyl-1-phenyl-1,3,5-triazinane-2-thione is C16H17N3S.
What is the molecular weight of 5-Benzyl-1-phenyl-1,3,5-triazinane-2-thione?
The molecular weight of 5-Benzyl-1-phenyl-1,3,5-triazinane-2-thione is 283.11 g/mol.
Where can I buy 5-Benzyl-1-phenyl-1,3,5-triazinane-2-thione?
You can request a quote for 5-Benzyl-1-phenyl-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-phenyl-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-1-phenyl-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.