5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione
TL;DR: 5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione (CAS 45974-78-5) is a chemical compound with molecular formula C5H8N2S4 and molecular weight 223.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,2,4,7-dithiadiazocane-3,8-dithione
Also Known As: (r)-oct-1-yn-3-ol, 5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione
| Molecular Formula | C5H8N2S4 |
|---|---|
| Molecular Weight | 223.96 g/mol |
| LogP | 1.5189 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.95703 |
| Heavy Atoms | 11 |
| Complexity | 181.32123 |
Chemical Identifiers
| CAS Number | 45974-78-5 |
|---|---|
| SMILES | CC1CNC(=S)SSC(=S)N1 |
Product Overview
5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione (CAS 45974-78-5), with molecular formula C5H8N2S4 and molecular weight 223.96 g/mol. IUPAC: 5-methyl-1,2,4,7-dithiadiazocane-3,8-dithione.
Chemical Property Profile of 5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione
Property Insights of 5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione
The XLogP value of 1.5189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione. With a topological polar surface area (TPSA) of 24.06 Ų, 5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione 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 5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione?
The CAS number of 5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione is 45974-78-5.
What is the molecular formula of 5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione?
The molecular formula of 5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione is C5H8N2S4.
What is the molecular weight of 5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione?
The molecular weight of 5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione is 223.96 g/mol.
Where can I buy 5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione?
You can request a quote for 5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1,2,4,7-dithiadiazocane-3,8-dithione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.