Tris(3-(acetylthio)propyl) isocyanurate
TL;DR: Tris(3-(acetylthio)propyl) isocyanurate (CAS 76486-41-4) is a chemical compound with molecular formula C18H27N3O6S3 and molecular weight 477.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[3-[3,5-bis(3-acetylsulfanylpropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl] ethanethioate
Also Known As: Tris(3-(acetylthio)propyl) isocyanurate, S-(3-(3,5-Bis(3-(acetylthio)propyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl)propyl) ethanethioate, S-[3-[3,5-bis(3-acetylsulfanylpropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl] ethanethioate, S-[3-[3,5-bis(3-acetylsulfanylpropyl)-2,4,6-trioxo-1,3,5-tri, TRIS[3-(ACETYLSULFANYL)PROPYL]-1,3,5-TRIAZINANE-2,4,6-TRIONE
| Molecular Formula | C18H27N3O6S3 |
|---|---|
| Molecular Weight | 477.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 477.1062 |
| Heavy Atoms | 30 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 76486-41-4 |
|---|---|
| SMILES | CC(=O)SCCCN1C(=O)N(C(=O)N(C1=O)CCCSC(=O)C)CCCSC(=O)C |
| InChIKey | JZMSBNFUCLQRTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tris(3-(acetylthio)propyl) isocyanurate (CAS 76486-41-4), with molecular formula C18H27N3O6S3 and molecular weight 477.11 g/mol. IUPAC: S-[3-[3,5-bis(3-acetylsulfanylpropyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl] ethanethioate.
Chemical Property Profile of Tris(3-(acetylthio)propyl) isocyanurate
Property Insights of Tris(3-(acetylthio)propyl) isocyanurate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tris(3-(acetylthio)propyl) isocyanurate. The TPSA of 188.0 Ų indicates high polarity, suggesting Tris(3-(acetylthio)propyl) isocyanurate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tris(3-(acetylthio)propyl) isocyanurate has 0 hydrogen bond donor(s) and 9 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 Tris(3-(acetylthio)propyl) isocyanurate?
The CAS number of Tris(3-(acetylthio)propyl) isocyanurate is 76486-41-4.
What is the molecular formula of Tris(3-(acetylthio)propyl) isocyanurate?
The molecular formula of Tris(3-(acetylthio)propyl) isocyanurate is C18H27N3O6S3.
What is the molecular weight of Tris(3-(acetylthio)propyl) isocyanurate?
The molecular weight of Tris(3-(acetylthio)propyl) isocyanurate is 477.11 g/mol.
Where can I buy Tris(3-(acetylthio)propyl) isocyanurate?
You can request a quote for Tris(3-(acetylthio)propyl) isocyanurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(3-(acetylthio)propyl) isocyanurate?
Yes, KEHONG BIO provides custom synthesis services for Tris(3-(acetylthio)propyl) isocyanurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.