![9-Amino-6-[methylthio]-9H-purine structure](/static/products/2100/21004-90-0.webp)
9-Amino-6-[methylthio]-9H-purine
TL;DR: 9-Amino-6-[methylthio]-9H-purine (CAS 21004-90-0) is a chemical compound with molecular formula C6H7N5S and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylsulfanylpurin-9-amine
Also Known As: 9-Amino-6-[methylthio]-9H-purine, 6-methylsulfanylpurin-9-amine, 9-Amino-6-methylthio-9H-purin, 9H-Purin-9-amine,6-(methylthio)-, 6-(Methylthio)-9H-purin-9-amine
| Molecular Formula | C6H7N5S |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.04222 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 21004-90-0 |
|---|---|
| SMILES | CSC1=NC=NC2=C1N=CN2N |
| InChIKey | IIXIVKQCVIUIOF-UHFFFAOYSA-N |
Product Overview
9-Amino-6-[methylthio]-9H-purine (CAS 21004-90-0), with molecular formula C6H7N5S and molecular weight 181.04 g/mol. IUPAC: 6-methylsulfanylpurin-9-amine.
Chemical Property Profile of 9-Amino-6-[methylthio]-9H-purine
Property Insights of 9-Amino-6-[methylthio]-9H-purine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Amino-6-[methylthio]-9H-purine. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Amino-6-[methylthio]-9H-purine. Following Lipinski's Rule of Five, 9-Amino-6-[methylthio]-9H-purine has 1 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 9-Amino-6-[methylthio]-9H-purine?
The CAS number of 9-Amino-6-[methylthio]-9H-purine is 21004-90-0.
What is the molecular formula of 9-Amino-6-[methylthio]-9H-purine?
The molecular formula of 9-Amino-6-[methylthio]-9H-purine is C6H7N5S.
What is the molecular weight of 9-Amino-6-[methylthio]-9H-purine?
The molecular weight of 9-Amino-6-[methylthio]-9H-purine is 181.04 g/mol.
Where can I buy 9-Amino-6-[methylthio]-9H-purine?
You can request a quote for 9-Amino-6-[methylthio]-9H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Amino-6-[methylthio]-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 9-Amino-6-[methylthio]-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.