1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione
TL;DR: 1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione (CAS 40848-32-6) is a chemical compound with molecular formula C6H6N4O2S and molecular weight 198.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-8-sulfanylidene-7,9-dihydro-3H-purine-2,6-dione
Also Known As: 1-methyl-8-thioxo-8,9-dihydro-1H-purine-2,6(3H,7H)-dione, 1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione, 8-mercapto-1-methyl-3,7-dihydro-1h-purine-2,6-dione, 1-methyl-8-sulfanylidene-7,9-dihydro-3H-purine-2,6-dione, 2-hydroxy-1-methyl-8-sulfanyl-1,7-dihydro-6H-purin-6-one
| Molecular Formula | C6H6N4O2S |
|---|---|
| Molecular Weight | 198.02 g/mol |
| LogP | -0.38751 |
| Topological Polar Surface Area | 86.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.02115 |
| Heavy Atoms | 13 |
| Complexity | 628.3473 |
Chemical Identifiers
| CAS Number | 40848-32-6 |
|---|---|
| SMILES | CN1C(=O)C2=C(NC(=S)N2)NC1=O |
Product Overview
1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione (CAS 40848-32-6), with molecular formula C6H6N4O2S and molecular weight 198.02 g/mol. IUPAC: 1-methyl-8-sulfanylidene-7,9-dihydro-3H-purine-2,6-dione.
Chemical Property Profile of 1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione
Property Insights of 1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione
The XLogP value of -0.38751 indicates that 1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione has 3 hydrogen bond donor(s) and 3 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-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione?
The CAS number of 1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione is 40848-32-6.
What is the molecular formula of 1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione is C6H6N4O2S.
What is the molecular weight of 1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione is 198.02 g/mol.
Where can I buy 1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.