2,4,6-Tris(chloromethyl)-1,3,5-trithiane
TL;DR: 2,4,6-Tris(chloromethyl)-1,3,5-trithiane (CAS 119015-76-8) is a chemical compound with molecular formula C6H9Cl3S3 and molecular weight 281.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-tris(chloromethyl)-1,3,5-trithiane
Also Known As: 2,4,6-tris(chloromethyl)-1,3,5-trithiane, 1,3,5-Trithiane, 2,4,6-tris(chloromethyl)-, 2,4,6-tri(chloromethyl)-1,3,5-trithiane, 5-Chloro-2-fluorophenylboronic acid,pinacol ester, RefChem:245928
| Molecular Formula | C6H9Cl3S3 |
|---|---|
| Molecular Weight | 281.89 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.8932 |
| Heavy Atoms | 12 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 119015-76-8 |
|---|---|
| SMILES | C(C1SC(SC(S1)CCl)CCl)Cl |
| InChIKey | ZJDIPQQCIUNYNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Tris(chloromethyl)-1,3,5-trithiane (CAS 119015-76-8), with molecular formula C6H9Cl3S3 and molecular weight 281.89 g/mol. IUPAC: 2,4,6-tris(chloromethyl)-1,3,5-trithiane.
Chemical Property Profile of 2,4,6-Tris(chloromethyl)-1,3,5-trithiane
Property Insights of 2,4,6-Tris(chloromethyl)-1,3,5-trithiane
The XLogP value of 4.2 indicates that 2,4,6-Tris(chloromethyl)-1,3,5-trithiane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Tris(chloromethyl)-1,3,5-trithiane. Following Lipinski's Rule of Five, 2,4,6-Tris(chloromethyl)-1,3,5-trithiane has 0 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 2,4,6-Tris(chloromethyl)-1,3,5-trithiane?
The CAS number of 2,4,6-Tris(chloromethyl)-1,3,5-trithiane is 119015-76-8.
What is the molecular formula of 2,4,6-Tris(chloromethyl)-1,3,5-trithiane?
The molecular formula of 2,4,6-Tris(chloromethyl)-1,3,5-trithiane is C6H9Cl3S3.
What is the molecular weight of 2,4,6-Tris(chloromethyl)-1,3,5-trithiane?
The molecular weight of 2,4,6-Tris(chloromethyl)-1,3,5-trithiane is 281.89 g/mol.
Where can I buy 2,4,6-Tris(chloromethyl)-1,3,5-trithiane?
You can request a quote for 2,4,6-Tris(chloromethyl)-1,3,5-trithiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Tris(chloromethyl)-1,3,5-trithiane?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tris(chloromethyl)-1,3,5-trithiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.