三硫丙酮
TL;DR: 三硫丙酮 (CAS 828-26-2) is a chemical compound with molecular formula C9H18S3 and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三硫丙酮
2,2,4,4,6,6-hexamethyl-1,3,5-trithiane
Also Known As: Trithioacetone, 2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane, Hexamethyl-S-trithiane, Hexamethyl-1,3,5-trithiane, tropical trithiane
| Molecular Formula | C9H18S3 |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.05707 |
| Heavy Atoms | 12 |
| Complexity | 131.0 |
| Melting Point | 21.8 °C |
| Boiling Point | 105.00 to 107.00 °C. @ 10.00 mm Hg |
| Density | 1.062-1.068 |
| Solubility | insoluble in water; miscible in oils |
| Refractive Index | 1.537-1.545 |
Chemical Identifiers
| CAS Number | 828-26-2 |
|---|---|
| SMILES | CC1(SC(SC(S1)(C)C)(C)C)C |
| InChIKey | NBNWHQAWKFYFKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三硫丙酮 (CAS 828-26-2), with molecular formula C9H18S3 and molecular weight 222.06 g/mol. IUPAC: 2,2,4,4,6,6-hexamethyl-1,3,5-trithiane.
Chemical Property Profile of 三硫丙酮
Property Insights of 三硫丙酮
The XLogP value of 4.1 indicates that 三硫丙酮 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 三硫丙酮. Following Lipinski's Rule of Five, 三硫丙酮 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 三硫丙酮?
The CAS number of 三硫丙酮 is 828-26-2.
What is the molecular formula of 三硫丙酮?
The molecular formula of 三硫丙酮 is C9H18S3.
What is the molecular weight of 三硫丙酮?
The molecular weight of 三硫丙酮 is 222.06 g/mol.
Where can I buy 三硫丙酮?
You can request a quote for 三硫丙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三硫丙酮?
Yes, KEHONG BIO provides custom synthesis services for 三硫丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.