6-Thio-3-deazaguanine
TL;DR: 6-Thio-3-deazaguanine (CAS 52605-87-5) 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.
6-amino-1,5-dihydroimidazo[4,5-c]pyridine-4-thione
Also Known As: 6-Thio-3-deazaguanine, 3-Deaza-6-thioguanine, 6-Thio-3-deazguanine, NIOSH/NJ5815000, 6-amino-1,5-dihydroimidazo[4,5-c]pyridine-4-thione
| Molecular Formula | C6H6N4S |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 1.20269 |
| Topological Polar Surface Area | 70.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.03131 |
| Heavy Atoms | 11 |
| Complexity | 441.02417 |
Chemical Identifiers
| CAS Number | 52605-87-5 |
|---|---|
| SMILES | C1=C(NC(=S)C2=C1NC=N2)N |
Product Overview
6-Thio-3-deazaguanine (CAS 52605-87-5), with molecular formula C6H6N4S and molecular weight 166.03 g/mol. IUPAC: 6-amino-1,5-dihydroimidazo[4,5-c]pyridine-4-thione.
Chemical Property Profile of 6-Thio-3-deazaguanine
Property Insights of 6-Thio-3-deazaguanine
The XLogP value of 1.20269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Thio-3-deazaguanine. The TPSA of 70.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Thio-3-deazaguanine. Following Lipinski's Rule of Five, 6-Thio-3-deazaguanine has 3 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 6-Thio-3-deazaguanine?
The CAS number of 6-Thio-3-deazaguanine is 52605-87-5.
What is the molecular formula of 6-Thio-3-deazaguanine?
The molecular formula of 6-Thio-3-deazaguanine is C6H6N4S.
What is the molecular weight of 6-Thio-3-deazaguanine?
The molecular weight of 6-Thio-3-deazaguanine is 166.03 g/mol.
Where can I buy 6-Thio-3-deazaguanine?
You can request a quote for 6-Thio-3-deazaguanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Thio-3-deazaguanine?
Yes, KEHONG BIO provides custom synthesis services for 6-Thio-3-deazaguanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.