6-butan-2-ylsulfanyl-7H-purin-2-amine
TL;DR: 6-butan-2-ylsulfanyl-7H-purin-2-amine (CAS 114425-46-6) 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-butan-2-ylsulfanyl-7H-purin-2-amine
Also Known As: 6-butan-2-ylsulfanyl-7H-purin-2-amine, 9H-Purin-2-amine, 6-[(1-methylpropyl)thio]-
Technical Specifications
| Molecular Formula | C9H13N5S |
| Molecular Weight | 223.08917 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.08917 Da |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
| SMILES | CCC(C)SC1=NC(=NC2=C1NC=N2)N |
| InChIKey | MOHMZIIRFFCLKF-UHFFFAOYSA-N |
Chemical Property Profile of 6-butan-2-ylsulfanyl-7H-purin-2-amine
Property Insights of 6-butan-2-ylsulfanyl-7H-purin-2-amine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-butan-2-ylsulfanyl-7H-purin-2-amine. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-butan-2-ylsulfanyl-7H-purin-2-amine. Following Lipinski's Rule of Five, 6-butan-2-ylsulfanyl-7H-purin-2-amine has 2 hydrogen bond donor(s) and 5 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-butan-2-ylsulfanyl-7H-purin-2-amine?
The CAS number of 6-butan-2-ylsulfanyl-7H-purin-2-amine is 114425-46-6.
What is the molecular formula of 6-butan-2-ylsulfanyl-7H-purin-2-amine?
The molecular formula of 6-butan-2-ylsulfanyl-7H-purin-2-amine is C9H13N5S.
What is the molecular weight of 6-butan-2-ylsulfanyl-7H-purin-2-amine?
The molecular weight of 6-butan-2-ylsulfanyl-7H-purin-2-amine is 223.08917 g/mol.
Where can I buy 6-butan-2-ylsulfanyl-7H-purin-2-amine?
You can request a quote for 6-butan-2-ylsulfanyl-7H-purin-2-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-butan-2-ylsulfanyl-7H-purin-2-amine?
Yes, CoreyChem provides custom synthesis services for 6-butan-2-ylsulfanyl-7H-purin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.