2,6-Dithio-8-methylthiotheophylline
TL;DR: 2,6-Dithio-8-methylthiotheophylline (CAS 6466-20-2) is a chemical compound with molecular formula C8H10N4S3 and molecular weight 258.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-methylsulfanyl-7H-purine-2,6-dithione
Also Known As: 2,6-Dithio-8-methyltheophylline, Theophylline, 8-(methylthio)dithio-, NCIOpen2_006256, Theophylline, 2,6-dithio-8-methylthio-, Theophylline, 2,6-dithio-(8-methylthio)-
| Molecular Formula | C8H10N4S3 |
|---|---|
| Molecular Weight | 258.01 g/mol |
| LogP | 2.42078 |
| Topological Polar Surface Area | 38.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.00677 |
| Heavy Atoms | 15 |
| Complexity | 633.5998 |
Chemical Identifiers
| CAS Number | 6466-20-2 |
|---|---|
| SMILES | CN1C2=C(C(=S)N(C1=S)C)NC(=N2)SC |
Product Overview
2,6-Dithio-8-methylthiotheophylline (CAS 6466-20-2), with molecular formula C8H10N4S3 and molecular weight 258.01 g/mol. IUPAC: 1,3-dimethyl-8-methylsulfanyl-7H-purine-2,6-dithione.
Chemical Property Profile of 2,6-Dithio-8-methylthiotheophylline
Property Insights of 2,6-Dithio-8-methylthiotheophylline
The XLogP value of 2.42078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dithio-8-methylthiotheophylline. With a topological polar surface area (TPSA) of 38.54 Ų, 2,6-Dithio-8-methylthiotheophylline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dithio-8-methylthiotheophylline has 1 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 2,6-Dithio-8-methylthiotheophylline?
The CAS number of 2,6-Dithio-8-methylthiotheophylline is 6466-20-2.
What is the molecular formula of 2,6-Dithio-8-methylthiotheophylline?
The molecular formula of 2,6-Dithio-8-methylthiotheophylline is C8H10N4S3.
What is the molecular weight of 2,6-Dithio-8-methylthiotheophylline?
The molecular weight of 2,6-Dithio-8-methylthiotheophylline is 258.01 g/mol.
Where can I buy 2,6-Dithio-8-methylthiotheophylline?
You can request a quote for 2,6-Dithio-8-methylthiotheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dithio-8-methylthiotheophylline?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dithio-8-methylthiotheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.