8-Chloro-4-cinnolinethiol
TL;DR: 8-Chloro-4-cinnolinethiol (CAS 89042-35-3) is a chemical compound with molecular formula C8H5ClN2S and molecular weight 195.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-1H-cinnoline-4-thione
Also Known As: 8-chlorocinnoline-4-thiol, 8-Chloro-4-cinnolinethiol, 8-chloro-1H-cinnoline-4-thione, NCIOpen2_000941, 8-Chlorocinnoline-4(1H)-thione
| Molecular Formula | C8H5ClN2S |
|---|---|
| Molecular Weight | 195.99 g/mol |
| LogP | 2.94579 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.98619 |
| Heavy Atoms | 12 |
| Complexity | 477.6867 |
Chemical Identifiers
| CAS Number | 89042-35-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)NN=CC2=S |
Product Overview
8-Chloro-4-cinnolinethiol (CAS 89042-35-3), with molecular formula C8H5ClN2S and molecular weight 195.99 g/mol. IUPAC: 8-chloro-1H-cinnoline-4-thione.
Chemical Property Profile of 8-Chloro-4-cinnolinethiol
Property Insights of 8-Chloro-4-cinnolinethiol
The XLogP value of 2.94579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloro-4-cinnolinethiol. With a topological polar surface area (TPSA) of 28.68 Ų, 8-Chloro-4-cinnolinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Chloro-4-cinnolinethiol has 1 hydrogen bond donor(s) and 2 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 8-Chloro-4-cinnolinethiol?
The CAS number of 8-Chloro-4-cinnolinethiol is 89042-35-3.
What is the molecular formula of 8-Chloro-4-cinnolinethiol?
The molecular formula of 8-Chloro-4-cinnolinethiol is C8H5ClN2S.
What is the molecular weight of 8-Chloro-4-cinnolinethiol?
The molecular weight of 8-Chloro-4-cinnolinethiol is 195.99 g/mol.
Where can I buy 8-Chloro-4-cinnolinethiol?
You can request a quote for 8-Chloro-4-cinnolinethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-4-cinnolinethiol?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-4-cinnolinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.