8-Thiocyanatoquinoline-5-sulfonic acid
TL;DR: 8-Thiocyanatoquinoline-5-sulfonic acid (CAS 187235-46-7) is a chemical compound with molecular formula C10H6N2O3S2 and molecular weight 265.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-thiocyanatoquinoline-5-sulfonic acid
Also Known As: 8-thiocyanatoquinoline-5-sulfonic acid, 8-(Thiocyanato)quinoline-5-sulfonic acid
| Molecular Formula | C10H6N2O3S2 |
|---|---|
| Molecular Weight | 265.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.982 |
| Heavy Atoms | 17 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 187235-46-7 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2N=C1)SC#N)S(=O)(=O)O |
| InChIKey | CAMRZXWYBBXBEI-UHFFFAOYSA-N |
Product Overview
8-Thiocyanatoquinoline-5-sulfonic acid (CAS 187235-46-7), with molecular formula C10H6N2O3S2 and molecular weight 265.98 g/mol. IUPAC: 8-thiocyanatoquinoline-5-sulfonic acid.
Chemical Property Profile of 8-Thiocyanatoquinoline-5-sulfonic acid
Property Insights of 8-Thiocyanatoquinoline-5-sulfonic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Thiocyanatoquinoline-5-sulfonic acid. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Thiocyanatoquinoline-5-sulfonic acid. Following Lipinski's Rule of Five, 8-Thiocyanatoquinoline-5-sulfonic acid has 1 hydrogen bond donor(s) and 6 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-Thiocyanatoquinoline-5-sulfonic acid?
The CAS number of 8-Thiocyanatoquinoline-5-sulfonic acid is 187235-46-7.
What is the molecular formula of 8-Thiocyanatoquinoline-5-sulfonic acid?
The molecular formula of 8-Thiocyanatoquinoline-5-sulfonic acid is C10H6N2O3S2.
What is the molecular weight of 8-Thiocyanatoquinoline-5-sulfonic acid?
The molecular weight of 8-Thiocyanatoquinoline-5-sulfonic acid is 265.98 g/mol.
Where can I buy 8-Thiocyanatoquinoline-5-sulfonic acid?
You can request a quote for 8-Thiocyanatoquinoline-5-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Thiocyanatoquinoline-5-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-Thiocyanatoquinoline-5-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.