9H-Purine-6-thiol, 2-chloro-9-methyl-
TL;DR: 9H-Purine-6-thiol, 2-chloro-9-methyl- (CAS 2382-13-0) is a chemical compound with molecular formula C6H5ClN4S and molecular weight 199.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-9-methyl-3H-purine-6-thione
Also Known As: 2-Chloro-9-methyl-9H-purine-6-thiol, 9H-Purine-6-thiol, 2-chloro-9-methyl-, 2-chloro-9-methyl-3H-purine-6-thione, 2-Chloro-9-methyl-3,9-dihydro-6H-purine-6-thione, 6H-Purine-6-thione, 2-chloro-1,9-dihydro-9-methyl-
| Molecular Formula | C6H5ClN4S |
|---|---|
| Molecular Weight | 199.99 g/mol |
| LogP | 1.67929 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.99234 |
| Heavy Atoms | 12 |
| Complexity | 485.74402 |
Chemical Identifiers
| CAS Number | 2382-13-0 |
|---|---|
| SMILES | CN1C=NC2=C1NC(=NC2=S)Cl |
Product Overview
9H-Purine-6-thiol, 2-chloro-9-methyl- (CAS 2382-13-0), with molecular formula C6H5ClN4S and molecular weight 199.99 g/mol. IUPAC: 2-chloro-9-methyl-3H-purine-6-thione.
Chemical Property Profile of 9H-Purine-6-thiol, 2-chloro-9-methyl-
Property Insights of 9H-Purine-6-thiol, 2-chloro-9-methyl-
The XLogP value of 1.67929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine-6-thiol, 2-chloro-9-methyl-. With a topological polar surface area (TPSA) of 46.5 Ų, 9H-Purine-6-thiol, 2-chloro-9-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Purine-6-thiol, 2-chloro-9-methyl- has 1 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 9H-Purine-6-thiol, 2-chloro-9-methyl-?
The CAS number of 9H-Purine-6-thiol, 2-chloro-9-methyl- is 2382-13-0.
What is the molecular formula of 9H-Purine-6-thiol, 2-chloro-9-methyl-?
The molecular formula of 9H-Purine-6-thiol, 2-chloro-9-methyl- is C6H5ClN4S.
What is the molecular weight of 9H-Purine-6-thiol, 2-chloro-9-methyl-?
The molecular weight of 9H-Purine-6-thiol, 2-chloro-9-methyl- is 199.99 g/mol.
Where can I buy 9H-Purine-6-thiol, 2-chloro-9-methyl-?
You can request a quote for 9H-Purine-6-thiol, 2-chloro-9-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purine-6-thiol, 2-chloro-9-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine-6-thiol, 2-chloro-9-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.