1,4,7-Trithiacyclodecane
TL;DR: 1,4,7-Trithiacyclodecane (CAS 111381-84-1) is a chemical compound with molecular formula C7H14S3 and molecular weight 194.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,7-trithiecane
Also Known As: 1,4,7-trithiecane, 1,4,7-trithiacyclodecane, 631-216-9, RefChem:415828
| Molecular Formula | C7H14S3 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 2.5897 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.02576 |
| Heavy Atoms | 10 |
| Complexity | 42.03219 |
Chemical Identifiers
| CAS Number | 111381-84-1 |
|---|---|
| SMILES | C1CSCCSCCSC1 |
Product Overview
1,4,7-Trithiacyclodecane (CAS 111381-84-1), with molecular formula C7H14S3 and molecular weight 194.03 g/mol. IUPAC: 1,4,7-trithiecane.
Chemical Property Profile of 1,4,7-Trithiacyclodecane
Property Insights of 1,4,7-Trithiacyclodecane
The XLogP value of 2.5897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,7-Trithiacyclodecane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4,7-Trithiacyclodecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,7-Trithiacyclodecane 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 1,4,7-Trithiacyclodecane?
The CAS number of 1,4,7-Trithiacyclodecane is 111381-84-1.
What is the molecular formula of 1,4,7-Trithiacyclodecane?
The molecular formula of 1,4,7-Trithiacyclodecane is C7H14S3.
What is the molecular weight of 1,4,7-Trithiacyclodecane?
The molecular weight of 1,4,7-Trithiacyclodecane is 194.03 g/mol.
Where can I buy 1,4,7-Trithiacyclodecane?
You can request a quote for 1,4,7-Trithiacyclodecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,7-Trithiacyclodecane?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7-Trithiacyclodecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.