6H-Purine-6-thione, 2-chloro-1,9-dihydro-
TL;DR: 6H-Purine-6-thione, 2-chloro-1,9-dihydro- (CAS 40769-62-8) is a chemical compound with molecular formula C5H3ClN4S and molecular weight 185.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3,7-dihydropurine-6-thione
Also Known As: Thiochlorpurine, 2-chloro-3,7-dihydropurine-6-thione, 2-Chloro-9H-purine-6-thiol, 6H-Purine-6-thione, 2-chloro-1,9-dihydro-
| Molecular Formula | C5H3ClN4S |
|---|---|
| Molecular Weight | 185.98 g/mol |
| LogP | 1.66889 |
| Topological Polar Surface Area | 57.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.9767 |
| Heavy Atoms | 11 |
| Complexity | 444.9243 |
Chemical Identifiers
| CAS Number | 40769-62-8 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=S)N=C(N2)Cl |
Product Overview
6H-Purine-6-thione, 2-chloro-1,9-dihydro- (CAS 40769-62-8), with molecular formula C5H3ClN4S and molecular weight 185.98 g/mol. IUPAC: 2-chloro-3,7-dihydropurine-6-thione.
Chemical Property Profile of 6H-Purine-6-thione, 2-chloro-1,9-dihydro-
Property Insights of 6H-Purine-6-thione, 2-chloro-1,9-dihydro-
The XLogP value of 1.66889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-Purine-6-thione, 2-chloro-1,9-dihydro-. With a topological polar surface area (TPSA) of 57.36 Ų, 6H-Purine-6-thione, 2-chloro-1,9-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6H-Purine-6-thione, 2-chloro-1,9-dihydro- has 2 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 6H-Purine-6-thione, 2-chloro-1,9-dihydro-?
The CAS number of 6H-Purine-6-thione, 2-chloro-1,9-dihydro- is 40769-62-8.
What is the molecular formula of 6H-Purine-6-thione, 2-chloro-1,9-dihydro-?
The molecular formula of 6H-Purine-6-thione, 2-chloro-1,9-dihydro- is C5H3ClN4S.
What is the molecular weight of 6H-Purine-6-thione, 2-chloro-1,9-dihydro-?
The molecular weight of 6H-Purine-6-thione, 2-chloro-1,9-dihydro- is 185.98 g/mol.
Where can I buy 6H-Purine-6-thione, 2-chloro-1,9-dihydro-?
You can request a quote for 6H-Purine-6-thione, 2-chloro-1,9-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-Purine-6-thione, 2-chloro-1,9-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 6H-Purine-6-thione, 2-chloro-1,9-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.