2-Hydroxy-5-thiocyanatobenzoic acid
TL;DR: 2-Hydroxy-5-thiocyanatobenzoic acid (CAS 21222-64-0) is a chemical compound with molecular formula C8H5NO3S and molecular weight 195.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-thiocyanatobenzoic acid
Also Known As: 2-Hydroxy-5-thiocyanatobenzoic acid, 2-Hydroxy-5-(thiocyanato)benzoic acid, 5-(Cyanosulfanyl)-2-hydroxybenzoic acid, 5-(Cyanosulfanyl)-2-hydroxybenzoic acid #, J1.397.641D
| Molecular Formula | C8H5NO3S |
|---|---|
| Molecular Weight | 195.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.99901 |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 21222-64-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1SC#N)C(=O)O)O |
| InChIKey | TWHUBOLSBIRRFW-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-5-thiocyanatobenzoic acid (CAS 21222-64-0), with molecular formula C8H5NO3S and molecular weight 195.00 g/mol. IUPAC: 2-hydroxy-5-thiocyanatobenzoic acid.
Chemical Property Profile of 2-Hydroxy-5-thiocyanatobenzoic acid
Property Insights of 2-Hydroxy-5-thiocyanatobenzoic acid
The XLogP value of 3.1 indicates that 2-Hydroxy-5-thiocyanatobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-5-thiocyanatobenzoic acid. Following Lipinski's Rule of Five, 2-Hydroxy-5-thiocyanatobenzoic acid has 2 hydrogen bond donor(s) and 5 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 2-Hydroxy-5-thiocyanatobenzoic acid?
The CAS number of 2-Hydroxy-5-thiocyanatobenzoic acid is 21222-64-0.
What is the molecular formula of 2-Hydroxy-5-thiocyanatobenzoic acid?
The molecular formula of 2-Hydroxy-5-thiocyanatobenzoic acid is C8H5NO3S.
What is the molecular weight of 2-Hydroxy-5-thiocyanatobenzoic acid?
The molecular weight of 2-Hydroxy-5-thiocyanatobenzoic acid is 195.00 g/mol.
Where can I buy 2-Hydroxy-5-thiocyanatobenzoic acid?
You can request a quote for 2-Hydroxy-5-thiocyanatobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-5-thiocyanatobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-5-thiocyanatobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.