2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione
TL;DR: 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione (CAS 5453-12-3) is a chemical compound with molecular formula C6H6N4S3 and molecular weight 229.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione
Also Known As: 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione, 2-(methylthio)-7,9-dihydro-3H-purine-6,8-dithione, 2-(Methylsulfanyl)-7,9-dihydro-3H-purine-6,8-dithione, RefChem:357095
| Molecular Formula | C6H6N4S3 |
|---|---|
| Molecular Weight | 229.98 g/mol |
| LogP | 2.39998 |
| Topological Polar Surface Area | 60.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.97546 |
| Heavy Atoms | 13 |
| Complexity | 548.7401 |
Chemical Identifiers
| CAS Number | 5453-12-3 |
|---|---|
| SMILES | CSC1=NC(=S)C2=C(N1)NC(=S)N2 |
Product Overview
2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione (CAS 5453-12-3), with molecular formula C6H6N4S3 and molecular weight 229.98 g/mol. IUPAC: 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione.
Chemical Property Profile of 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione
Property Insights of 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione
The XLogP value of 2.39998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione. The TPSA of 60.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione. Following Lipinski's Rule of Five, 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione has 3 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-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione?
The CAS number of 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione is 5453-12-3.
What is the molecular formula of 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione?
The molecular formula of 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione is C6H6N4S3.
What is the molecular weight of 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione?
The molecular weight of 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione is 229.98 g/mol.
Where can I buy 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione?
You can request a quote for 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione?
Yes, KEHONG BIO provides custom synthesis services for 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dithione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.