2-tert-Butyl-1,3-dithiane-5,5-dithiol
TL;DR: 2-tert-Butyl-1,3-dithiane-5,5-dithiol (CAS 68449-92-3) is a chemical compound with molecular formula C8H16S4 and molecular weight 240.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1,3-dithiane-5,5-dithiol
Also Known As: 2-tert-Butyl-1,3-dithiane-5,5-dithiol, 2-tert-Butyl-1,3-dithiane-5,5-dithiol #, 1,3-Dithiane-5,5-dithiol, 2-(1,1-dimethylethyl)-
| Molecular Formula | C8H16S4 |
|---|---|
| Molecular Weight | 240.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.01349 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 68449-92-3 |
|---|---|
| SMILES | CC(C)(C)C1SCC(CS1)(S)S |
| InChIKey | FBAIILOZBLGVES-UHFFFAOYSA-N |
Product Overview
2-tert-Butyl-1,3-dithiane-5,5-dithiol (CAS 68449-92-3), with molecular formula C8H16S4 and molecular weight 240.01 g/mol. IUPAC: 2-tert-butyl-1,3-dithiane-5,5-dithiol.
Chemical Property Profile of 2-tert-Butyl-1,3-dithiane-5,5-dithiol
Property Insights of 2-tert-Butyl-1,3-dithiane-5,5-dithiol
The XLogP value of 3.7 indicates that 2-tert-Butyl-1,3-dithiane-5,5-dithiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-tert-Butyl-1,3-dithiane-5,5-dithiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butyl-1,3-dithiane-5,5-dithiol 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 2-tert-Butyl-1,3-dithiane-5,5-dithiol?
The CAS number of 2-tert-Butyl-1,3-dithiane-5,5-dithiol is 68449-92-3.
What is the molecular formula of 2-tert-Butyl-1,3-dithiane-5,5-dithiol?
The molecular formula of 2-tert-Butyl-1,3-dithiane-5,5-dithiol is C8H16S4.
What is the molecular weight of 2-tert-Butyl-1,3-dithiane-5,5-dithiol?
The molecular weight of 2-tert-Butyl-1,3-dithiane-5,5-dithiol is 240.01 g/mol.
Where can I buy 2-tert-Butyl-1,3-dithiane-5,5-dithiol?
You can request a quote for 2-tert-Butyl-1,3-dithiane-5,5-dithiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butyl-1,3-dithiane-5,5-dithiol?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyl-1,3-dithiane-5,5-dithiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.