6-(Butylamino)-3,7-dihydropurine-2-thione
TL;DR: 6-(Butylamino)-3,7-dihydropurine-2-thione (CAS 114425-47-7) is a chemical compound with molecular formula C9H13N5S and molecular weight 223.08917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(butylamino)-3,7-dihydropurine-2-thione
Also Known As: 6-butylamino-3,7-dihydropurine-2-thione, 6-(butylamino)-3,7-dihydropurine-2-thione, 2H-Purine-2-thione, 6-(butylamino)-1,3-dihydro-
Technical Specifications
| Molecular Formula | C9H13N5S |
| Molecular Weight | 223.08917 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 97.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.08917 Da |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
| SMILES | CCCCNC1=NC(=S)NC2=C1NC=N2 |
| InChIKey | TXOMXDIRXAZXQW-UHFFFAOYSA-N |
Chemical Property Profile of 6-(Butylamino)-3,7-dihydropurine-2-thione
Property Insights of 6-(Butylamino)-3,7-dihydropurine-2-thione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Butylamino)-3,7-dihydropurine-2-thione. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Butylamino)-3,7-dihydropurine-2-thione. Following Lipinski's Rule of Five, 6-(Butylamino)-3,7-dihydropurine-2-thione has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-(Butylamino)-3,7-dihydropurine-2-thione?
The CAS number of 6-(Butylamino)-3,7-dihydropurine-2-thione is 114425-47-7.
What is the molecular formula of 6-(Butylamino)-3,7-dihydropurine-2-thione?
The molecular formula of 6-(Butylamino)-3,7-dihydropurine-2-thione is C9H13N5S.
What is the molecular weight of 6-(Butylamino)-3,7-dihydropurine-2-thione?
The molecular weight of 6-(Butylamino)-3,7-dihydropurine-2-thione is 223.08917 g/mol.
Where can I buy 6-(Butylamino)-3,7-dihydropurine-2-thione?
You can request a quote for 6-(Butylamino)-3,7-dihydropurine-2-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(Butylamino)-3,7-dihydropurine-2-thione?
Yes, CoreyChem provides custom synthesis services for 6-(Butylamino)-3,7-dihydropurine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.