3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione
TL;DR: 3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione (CAS 126118-59-0) is a chemical compound with molecular formula C10H14N4O2S and molecular weight 254.08374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-7-(2-methylpropyl)-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: BAS 00286887, Xanthine,1-methyl-7-isobutyl-8-mercapto-, 7-Isobutyl-8-mercapto-3-methyl-3,7-dihydro-purine-2,6-dione, 3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione, 3-methyl-7-(2-methylpropyl)-8-sulfanylidene-9H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C10H14N4O2S |
| Molecular Weight | 254.08374 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 96.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.08374 Da |
| Heavy Atoms | 17 |
| Complexity | 444.0 |
| SMILES | CC(C)CN1C2=C(NC1=S)N(C(=O)NC2=O)C |
| InChIKey | CEQPWQUIQUZRKV-UHFFFAOYSA-N |
Chemical Property Profile of 3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione
Property Insights of 3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione 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 3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione?
The CAS number of 3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione is 126118-59-0.
What is the molecular formula of 3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione?
The molecular formula of 3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione is C10H14N4O2S.
What is the molecular weight of 3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione?
The molecular weight of 3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione is 254.08374 g/mol.
Where can I buy 3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione?
You can request a quote for 3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.