3-methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one
TL;DR: 3-methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one (CAS 28139-02-8) is a chemical compound with molecular formula C6H6N4OS and molecular weight 182.02623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-2-sulfanylidene-7H-purin-6-one
Also Known As: 2-Mercapto-3-methyl-3H-purin-6(9H)-one, Xanthine, 3-methyl-2-thio-, 3-METHYL-2-THIOXANTHINE, 3-methyl-2-sulfanylidene-7H-purin-6-one, 2,3-Dihydro-2-thioxo-3-methyl-7H-purin-6(1H)-one
Technical Specifications
| Molecular Formula | C6H6N4OS |
| Molecular Weight | 182.02623 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.02623 Da |
| Heavy Atoms | 12 |
| Complexity | 244.0 |
| SMILES | CN1C2=C(C(=O)NC1=S)NC=N2 |
| InChIKey | ULLBFNHCWKVCBA-UHFFFAOYSA-N |
Chemical Property Profile of 3-methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one
Property Insights of 3-methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one
The XLogP value of -0.1 indicates that 3-methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one. Following Lipinski's Rule of Five, 3-methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one?
The CAS number of 3-methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one is 28139-02-8.
What is the molecular formula of 3-methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one?
The molecular formula of 3-methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one is C6H6N4OS.
What is the molecular weight of 3-methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one?
The molecular weight of 3-methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one is 182.02623 g/mol.
Where can I buy 3-methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one?
You can request a quote for 3-methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one?
Yes, CoreyChem provides custom synthesis services for 3-methyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.