2,2,7,7-Tetramethyloctane-3,6-dithione
TL;DR: 2,2,7,7-Tetramethyloctane-3,6-dithione (CAS 94441-88-0) is a chemical compound with molecular formula C12H22S2 and molecular weight 230.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,7,7-tetramethyloctane-3,6-dithione
Also Known As: 2,2,7,7-Tetramethyloctane-3,6-dithione, EINECS 305-313-9, EINECS 305-313-9, CID3024354, 2,2,7,7-Tetramethyloctane-3,6-dithione, 94441-88-0
| Molecular Formula | C12H22S2 |
|---|---|
| Molecular Weight | 230.12 g/mol |
| LogP | 4.5986 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.11629 |
| Heavy Atoms | 14 |
| Complexity | 199.68674 |
Chemical Identifiers
| CAS Number | 94441-88-0 |
|---|---|
| SMILES | CC(C)(C)C(=S)CCC(=S)C(C)(C)C |
Product Overview
2,2,7,7-Tetramethyloctane-3,6-dithione (CAS 94441-88-0), with molecular formula C12H22S2 and molecular weight 230.12 g/mol. IUPAC: 2,2,7,7-tetramethyloctane-3,6-dithione.
Chemical Property Profile of 2,2,7,7-Tetramethyloctane-3,6-dithione
Property Insights of 2,2,7,7-Tetramethyloctane-3,6-dithione
The XLogP value of 4.5986 indicates that 2,2,7,7-Tetramethyloctane-3,6-dithione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2,7,7-Tetramethyloctane-3,6-dithione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,7,7-Tetramethyloctane-3,6-dithione has 0 hydrogen bond donor(s) and 2 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 2,2,7,7-Tetramethyloctane-3,6-dithione?
The CAS number of 2,2,7,7-Tetramethyloctane-3,6-dithione is 94441-88-0.
What is the molecular formula of 2,2,7,7-Tetramethyloctane-3,6-dithione?
The molecular formula of 2,2,7,7-Tetramethyloctane-3,6-dithione is C12H22S2.
What is the molecular weight of 2,2,7,7-Tetramethyloctane-3,6-dithione?
The molecular weight of 2,2,7,7-Tetramethyloctane-3,6-dithione is 230.12 g/mol.
Where can I buy 2,2,7,7-Tetramethyloctane-3,6-dithione?
You can request a quote for 2,2,7,7-Tetramethyloctane-3,6-dithione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,7,7-Tetramethyloctane-3,6-dithione?
Yes, KEHONG BIO provides custom synthesis services for 2,2,7,7-Tetramethyloctane-3,6-dithione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.