1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine
TL;DR: 1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine (CAS 21468-35-9) is a chemical compound with molecular formula C11H11N3O3S and molecular weight 265.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(2-sulfanylethyl)-1,3,5-triazinane-2,4,6-trione
Also Known As: 1-(2-mercapto-ethyl)-3-phenyl-[1,3,5]triazinane-2,4,6-trione, 1-Phenyl-3-(2-sulfanylethyl)-1,3,5-triazinane-2,4,6-trione, 1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine, 1-Phenyl-3-(2-sulfanylethyl)-1,3,5-triazinane-2,4,6-trione #
| Molecular Formula | C11H11N3O3S |
|---|---|
| Molecular Weight | 265.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.05212 |
| Heavy Atoms | 18 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 21468-35-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)NC(=O)N(C2=O)CCS |
| InChIKey | NGNSZIWFNBIZHL-UHFFFAOYSA-N |
Product Overview
1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine (CAS 21468-35-9), with molecular formula C11H11N3O3S and molecular weight 265.05 g/mol. IUPAC: 1-phenyl-3-(2-sulfanylethyl)-1,3,5-triazinane-2,4,6-trione.
Chemical Property Profile of 1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine
Property Insights of 1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine. Following Lipinski's Rule of Five, 1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine has 2 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-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine?
The CAS number of 1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine is 21468-35-9.
What is the molecular formula of 1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine?
The molecular formula of 1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine is C11H11N3O3S.
What is the molecular weight of 1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine?
The molecular weight of 1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine is 265.05 g/mol.
Where can I buy 1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine?
You can request a quote for 1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Mercaptoethyl)-3-phenyl-2,4,6-trioxohexahydro-S-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.