4-Cinnolinethiol
TL;DR: 4-Cinnolinethiol (CAS 875-67-2) is a chemical compound with molecular formula C8H6N2S and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-cinnoline-4-thione
Also Known As: cinnoline-4-thiol, 4-Cinnolinethiol, 1H-cinnoline-4-thione, 4-Mercaptocinnolin, Cinnoline-4(1H)-thione
| Molecular Formula | C8H6N2S |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 2.29239 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.02516 |
| Heavy Atoms | 11 |
| Complexity | 427.79016 |
Chemical Identifiers
| CAS Number | 875-67-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=S)C=NN2 |
Product Overview
4-Cinnolinethiol (CAS 875-67-2), with molecular formula C8H6N2S and molecular weight 162.03 g/mol. IUPAC: 1H-cinnoline-4-thione.
Chemical Property Profile of 4-Cinnolinethiol
Property Insights of 4-Cinnolinethiol
The XLogP value of 2.29239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cinnolinethiol. With a topological polar surface area (TPSA) of 28.68 Ų, 4-Cinnolinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 4-Cinnolinethiol?
The CAS number of 4-Cinnolinethiol is 875-67-2.
What is the molecular formula of 4-Cinnolinethiol?
The molecular formula of 4-Cinnolinethiol is C8H6N2S.
What is the molecular weight of 4-Cinnolinethiol?
The molecular weight of 4-Cinnolinethiol is 162.03 g/mol.
Where can I buy 4-Cinnolinethiol?
You can request a quote for 4-Cinnolinethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cinnolinethiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Cinnolinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.