1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
TL;DR: 1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione (CAS 678544-01-9) is a chemical compound with molecular formula C16H19N3OS and molecular weight 301.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
Also Known As: 1-(2-ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione, 1-(2-Ethyl-phenyl)-5-furan-2-ylmethyl-[1,3,5]triazinane-2-thione, 1-(2-ethylphenyl)-5-(2-furfuryl)-1,3,5-triazinane-2-thione, 1-(2-ethylphenyl)-5-(2-furanylmethyl)-1,3,5-triazinane-2-thione, 1-(2-ethylphenyl)-5-(2-furylmethyl)-1,3,5-triazinane-2-thione
| Molecular Formula | C16H19N3OS |
|---|---|
| Molecular Weight | 301.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.12488 |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 678544-01-9 |
|---|---|
| SMILES | CCC1=CC=CC=C1N2CN(CNC2=S)CC3=CC=CO3 |
| InChIKey | MCSJVIRIPKYNJI-UHFFFAOYSA-N |
Product Overview
1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione (CAS 678544-01-9), with molecular formula C16H19N3OS and molecular weight 301.12 g/mol. IUPAC: 1-(2-ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione.
Chemical Property Profile of 1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
Property Insights of 1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
The XLogP value of 3.1 indicates that 1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione. Following Lipinski's Rule of Five, 1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione has 1 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 1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione?
The CAS number of 1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione is 678544-01-9.
What is the molecular formula of 1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione?
The molecular formula of 1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione is C16H19N3OS.
What is the molecular weight of 1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione?
The molecular weight of 1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione is 301.12 g/mol.
Where can I buy 1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione?
You can request a quote for 1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-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-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.