1-(2-sulfanylethyl)-7H-purine-6-thione
TL;DR: 1-(2-sulfanylethyl)-7H-purine-6-thione (CAS 91846-91-2) is a chemical compound with molecular formula C7H8N4S2 and molecular weight 212.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-sulfanylethyl)-7H-purine-6-thione
Also Known As: 1-(2-sulfanylethyl)-7H-purine-6-thione, 1-(2-sulfanylethyl)-1,7-dihydro-6H-purine-6-thione
| Molecular Formula | C7H8N4S2 |
|---|---|
| Molecular Weight | 212.02 g/mol |
| LogP | 1.41869 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.01904 |
| Heavy Atoms | 13 |
| Complexity | 472.54242 |
Chemical Identifiers
| CAS Number | 91846-91-2 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=S)N(C=N2)CCS |
Product Overview
1-(2-sulfanylethyl)-7H-purine-6-thione (CAS 91846-91-2), with molecular formula C7H8N4S2 and molecular weight 212.02 g/mol. IUPAC: 1-(2-sulfanylethyl)-7H-purine-6-thione.
Chemical Property Profile of 1-(2-sulfanylethyl)-7H-purine-6-thione
Property Insights of 1-(2-sulfanylethyl)-7H-purine-6-thione
The XLogP value of 1.41869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-sulfanylethyl)-7H-purine-6-thione. With a topological polar surface area (TPSA) of 46.5 Ų, 1-(2-sulfanylethyl)-7H-purine-6-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-sulfanylethyl)-7H-purine-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 1-(2-sulfanylethyl)-7H-purine-6-thione?
The CAS number of 1-(2-sulfanylethyl)-7H-purine-6-thione is 91846-91-2.
What is the molecular formula of 1-(2-sulfanylethyl)-7H-purine-6-thione?
The molecular formula of 1-(2-sulfanylethyl)-7H-purine-6-thione is C7H8N4S2.
What is the molecular weight of 1-(2-sulfanylethyl)-7H-purine-6-thione?
The molecular weight of 1-(2-sulfanylethyl)-7H-purine-6-thione is 212.02 g/mol.
Where can I buy 1-(2-sulfanylethyl)-7H-purine-6-thione?
You can request a quote for 1-(2-sulfanylethyl)-7H-purine-6-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-sulfanylethyl)-7H-purine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-sulfanylethyl)-7H-purine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.