2-Methylsulfanyl-3,7-dihydropurine-6-thione
TL;DR: 2-Methylsulfanyl-3,7-dihydropurine-6-thione (CAS 100047-48-1) is a chemical compound with molecular formula C6H6N4S2 and molecular weight 198.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-3,7-dihydropurine-6-thione
Also Known As: 2-methylsulfanyl-3,7-dihydropurine-6-thione, 2-methylsulfanyl-1,7-dihydro-purine-6-thione
| Molecular Formula | C6H6N4S2 |
|---|---|
| Molecular Weight | 198.00 g/mol |
| LogP | 1.73739 |
| Topological Polar Surface Area | 57.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.00339 |
| Heavy Atoms | 12 |
| Complexity | 457.76117 |
Chemical Identifiers
| CAS Number | 100047-48-1 |
|---|---|
| SMILES | CSC1=NC(=S)C2=C(N1)N=CN2 |
Product Overview
2-Methylsulfanyl-3,7-dihydropurine-6-thione (CAS 100047-48-1), with molecular formula C6H6N4S2 and molecular weight 198.00 g/mol. IUPAC: 2-methylsulfanyl-3,7-dihydropurine-6-thione.
Chemical Property Profile of 2-Methylsulfanyl-3,7-dihydropurine-6-thione
Property Insights of 2-Methylsulfanyl-3,7-dihydropurine-6-thione
The XLogP value of 1.73739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylsulfanyl-3,7-dihydropurine-6-thione. With a topological polar surface area (TPSA) of 57.36 Ų, 2-Methylsulfanyl-3,7-dihydropurine-6-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylsulfanyl-3,7-dihydropurine-6-thione has 2 hydrogen bond donor(s) and 4 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 2-Methylsulfanyl-3,7-dihydropurine-6-thione?
The CAS number of 2-Methylsulfanyl-3,7-dihydropurine-6-thione is 100047-48-1.
What is the molecular formula of 2-Methylsulfanyl-3,7-dihydropurine-6-thione?
The molecular formula of 2-Methylsulfanyl-3,7-dihydropurine-6-thione is C6H6N4S2.
What is the molecular weight of 2-Methylsulfanyl-3,7-dihydropurine-6-thione?
The molecular weight of 2-Methylsulfanyl-3,7-dihydropurine-6-thione is 198.00 g/mol.
Where can I buy 2-Methylsulfanyl-3,7-dihydropurine-6-thione?
You can request a quote for 2-Methylsulfanyl-3,7-dihydropurine-6-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylsulfanyl-3,7-dihydropurine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylsulfanyl-3,7-dihydropurine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.