5-(2-Hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione
TL;DR: 5-(2-Hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione (CAS 799803-26-2) is a chemical compound with molecular formula C12H17N3OS and molecular weight 251.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione
Also Known As: 5-(2-hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione, 5-(2-hydroxyethyl)-1-(m-tolyl)-1,3,5-triazinane-2-thione
| Molecular Formula | C12H17N3OS |
|---|---|
| Molecular Weight | 251.11 g/mol |
| LogP | 0.89882 |
| Topological Polar Surface Area | 38.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.10924 |
| Heavy Atoms | 17 |
| Complexity | 410.49216 |
Chemical Identifiers
| CAS Number | 799803-26-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2CN(CNC2=S)CCO |
Product Overview
5-(2-Hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione (CAS 799803-26-2), with molecular formula C12H17N3OS and molecular weight 251.11 g/mol. IUPAC: 5-(2-hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione.
Chemical Property Profile of 5-(2-Hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione
Property Insights of 5-(2-Hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione
The XLogP value of 0.89882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione. With a topological polar surface area (TPSA) of 38.74 Ų, 5-(2-Hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione has 2 hydrogen bond donor(s) and 3 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-(2-Hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione?
The CAS number of 5-(2-Hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione is 799803-26-2.
What is the molecular formula of 5-(2-Hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione?
The molecular formula of 5-(2-Hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione is C12H17N3OS.
What is the molecular weight of 5-(2-Hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione?
The molecular weight of 5-(2-Hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione is 251.11 g/mol.
Where can I buy 5-(2-Hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione?
You can request a quote for 5-(2-Hydroxyethyl)-1-(3-methylphenyl)-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-(2-Hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Hydroxyethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.