1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione
TL;DR: 1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione (CAS 51270-93-0) is a chemical compound with molecular formula C5H7N3O3S and molecular weight 189.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-sulfanylethyl)-1,3,5-triazinane-2,4,6-trione
Also Known As: 1-(2-Mercaptoethyl)-1,3,5-triazinane-2,4,6-trione, 1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione, J3.313.749D, 1-(2-Mercaptoethyl)-s-triazine-2,4,6(1H,3H,5H)-trione, 1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione #
| Molecular Formula | C5H7N3O3S |
|---|---|
| Molecular Weight | 189.02 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.02081 |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 51270-93-0 |
|---|---|
| SMILES | C(CS)N1C(=O)NC(=O)NC1=O |
| InChIKey | LSUQRWQGUVIUMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione (CAS 51270-93-0), with molecular formula C5H7N3O3S and molecular weight 189.02 g/mol. IUPAC: 1-(2-sulfanylethyl)-1,3,5-triazinane-2,4,6-trione.
Chemical Property Profile of 1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione
Property Insights of 1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione
The XLogP value of -0.7 indicates that 1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione. Following Lipinski's Rule of Five, 1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione has 3 hydrogen bond donor(s) and 4 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-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione?
The CAS number of 1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione is 51270-93-0.
What is the molecular formula of 1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione?
The molecular formula of 1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione is C5H7N3O3S.
What is the molecular weight of 1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione?
The molecular weight of 1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione is 189.02 g/mol.
Where can I buy 1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione?
You can request a quote for 1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Sulfanylethyl)-1,3,5-triazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.