1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one
TL;DR: 1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one (CAS 39013-83-7) is a chemical compound with molecular formula C7H8N4OS2 and molecular weight 228.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-methylsulfanyl-8-sulfanylidene-7,9-dihydropurin-6-one
Also Known As: 1-methyl-2-(methylthio)-8-thioxo-8,9-dihydro-1H-purin-6(7H)-one, 1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one, 1-methyl-2-methylsulfanyl-8-sulfanylidene-7,9-dihydropurin-6-one
| Molecular Formula | C7H8N4OS2 |
|---|---|
| Molecular Weight | 228.01 g/mol |
| LogP | 1.04109 |
| Topological Polar Surface Area | 66.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.01395 |
| Heavy Atoms | 14 |
| Complexity | 593.7361 |
Chemical Identifiers
| CAS Number | 39013-83-7 |
|---|---|
| SMILES | CN1C(=O)C2=C(NC(=S)N2)N=C1SC |
Product Overview
1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one (CAS 39013-83-7), with molecular formula C7H8N4OS2 and molecular weight 228.01 g/mol. IUPAC: 1-methyl-2-methylsulfanyl-8-sulfanylidene-7,9-dihydropurin-6-one.
Chemical Property Profile of 1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one
Property Insights of 1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one
The XLogP value of 1.04109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one. The TPSA of 66.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one. Following Lipinski's Rule of Five, 1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one 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 1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one?
The CAS number of 1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one is 39013-83-7.
What is the molecular formula of 1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one?
The molecular formula of 1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one is C7H8N4OS2.
What is the molecular weight of 1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one?
The molecular weight of 1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one is 228.01 g/mol.
Where can I buy 1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one?
You can request a quote for 1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-2-(methylsulfanyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.