1-Methyl-6-thiopurine
TL;DR: 1-Methyl-6-thiopurine (CAS 1006-22-0) is a chemical compound with molecular formula C6H6N4S and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-7H-purine-6-thione
Also Known As: 1-Methyl-6-thiopurine, 1-Methylpurine-6-thione, 1-methyl-7H-purine-6-thione, 1-Methyl-6-mercaptopurine, Purine-6(1H)-thione, 1-methyl-
| Molecular Formula | C6H6N4S |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 1.02589 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.03131 |
| Heavy Atoms | 11 |
| Complexity | 441.02417 |
Chemical Identifiers
| CAS Number | 1006-22-0 |
|---|---|
| SMILES | CN1C=NC2=C(C1=S)NC=N2 |
Product Overview
1-Methyl-6-thiopurine (CAS 1006-22-0), with molecular formula C6H6N4S and molecular weight 166.03 g/mol. IUPAC: 1-methyl-7H-purine-6-thione.
Chemical Property Profile of 1-Methyl-6-thiopurine
Property Insights of 1-Methyl-6-thiopurine
The XLogP value of 1.02589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-6-thiopurine. With a topological polar surface area (TPSA) of 46.5 Ų, 1-Methyl-6-thiopurine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-6-thiopurine has 1 hydrogen bond donor(s) and 3 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 1-Methyl-6-thiopurine?
The CAS number of 1-Methyl-6-thiopurine is 1006-22-0.
What is the molecular formula of 1-Methyl-6-thiopurine?
The molecular formula of 1-Methyl-6-thiopurine is C6H6N4S.
What is the molecular weight of 1-Methyl-6-thiopurine?
The molecular weight of 1-Methyl-6-thiopurine is 166.03 g/mol.
Where can I buy 1-Methyl-6-thiopurine?
You can request a quote for 1-Methyl-6-thiopurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-6-thiopurine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-6-thiopurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.