6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine
TL;DR: 6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine (CAS 51776-58-0) is a chemical compound with molecular formula C10H12N4S2 and molecular weight 252.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylsulfanyl-9-(thiolan-2-yl)purine
Also Known As: NCIOpen2_002487, 6-methylsulfanyl-9-(thiolan-2-yl)purine, 6-(methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine, 6-(Methylsulfanyl)-9-(thiolan-2-yl)-9H-purine, 6-(Methylthio)-9-(tetrahydrothiophen-2-yl)-9H-purine
| Molecular Formula | C10H12N4S2 |
|---|---|
| Molecular Weight | 252.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 94.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.05034 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 51776-58-0 |
|---|---|
| SMILES | CSC1=NC=NC2=C1N=CN2C3CCCS3 |
| InChIKey | XBEMNCRDBWZLRW-UHFFFAOYSA-N |
Product Overview
6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine (CAS 51776-58-0), with molecular formula C10H12N4S2 and molecular weight 252.05 g/mol. IUPAC: 6-methylsulfanyl-9-(thiolan-2-yl)purine.
Chemical Property Profile of 6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine
Property Insights of 6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine. Following Lipinski's Rule of Five, 6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine has 0 hydrogen bond donor(s) and 5 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 6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine?
The CAS number of 6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine is 51776-58-0.
What is the molecular formula of 6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine?
The molecular formula of 6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine is C10H12N4S2.
What is the molecular weight of 6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine?
The molecular weight of 6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine is 252.05 g/mol.
Where can I buy 6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine?
You can request a quote for 6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-(Methylsulfanyl)-9-(tetrahydrothiophen-2-yl)-9h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.