9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione
TL;DR: 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione (CAS 74247-54-4) is a chemical compound with molecular formula C12H18N4O5S2 and molecular weight 362.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione
Also Known As: 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione, 1-S-Methyl-1-C-(6-sulfanylidene-3,6-dihydro-9H-purin-9-yl)-1-thiohexitol
| Molecular Formula | C12H18N4O5S2 |
|---|---|
| Molecular Weight | 362.07 g/mol |
| LogP | -1.21361 |
| Topological Polar Surface Area | 147.65 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 362.07187 |
| Heavy Atoms | 23 |
| Complexity | 708.06104 |
Chemical Identifiers
| CAS Number | 74247-54-4 |
|---|---|
| SMILES | CSC(C(C(C(C(CO)O)O)O)O)N1C=NC2=C1NC=NC2=S |
Product Overview
9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione (CAS 74247-54-4), with molecular formula C12H18N4O5S2 and molecular weight 362.07 g/mol. IUPAC: 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione.
Chemical Property Profile of 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione
Property Insights of 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione
The XLogP value of -1.21361 indicates that 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.65 Ų indicates high polarity, suggesting 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione?
The CAS number of 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione is 74247-54-4.
What is the molecular formula of 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione?
The molecular formula of 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione is C12H18N4O5S2.
What is the molecular weight of 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione?
The molecular weight of 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione is 362.07 g/mol.
Where can I buy 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione?
You can request a quote for 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-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 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.