6-Bromo-4-cinnolinethiol
TL;DR: 6-Bromo-4-cinnolinethiol (CAS 826-78-8) is a chemical compound with molecular formula C8H5BrN2S and molecular weight 239.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-1H-cinnoline-4-thione
Also Known As: 6-Bromo-4-cinnolinethiol, 6-bromocinnoline-4-thiol, 6-bromo-1H-cinnoline-4-thione, 6-Bromo-4-cinnolinyl hydrosulfide, 6-Bromocinnoline-4(1H)-thione
| Molecular Formula | C8H5BrN2S |
|---|---|
| Molecular Weight | 239.94 g/mol |
| LogP | 3.05489 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.93568 |
| Heavy Atoms | 12 |
| Complexity | 477.6867 |
Chemical Identifiers
| CAS Number | 826-78-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C(=S)C=NN2 |
Product Overview
6-Bromo-4-cinnolinethiol (CAS 826-78-8), with molecular formula C8H5BrN2S and molecular weight 239.94 g/mol. IUPAC: 6-bromo-1H-cinnoline-4-thione.
Chemical Property Profile of 6-Bromo-4-cinnolinethiol
Property Insights of 6-Bromo-4-cinnolinethiol
The XLogP value of 3.05489 indicates that 6-Bromo-4-cinnolinethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 6-Bromo-4-cinnolinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-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 6-Bromo-4-cinnolinethiol?
The CAS number of 6-Bromo-4-cinnolinethiol is 826-78-8.
What is the molecular formula of 6-Bromo-4-cinnolinethiol?
The molecular formula of 6-Bromo-4-cinnolinethiol is C8H5BrN2S.
What is the molecular weight of 6-Bromo-4-cinnolinethiol?
The molecular weight of 6-Bromo-4-cinnolinethiol is 239.94 g/mol.
Where can I buy 6-Bromo-4-cinnolinethiol?
You can request a quote for 6-Bromo-4-cinnolinethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-4-cinnolinethiol?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-4-cinnolinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.