4-Hydroxynaphthalen-1-yl thiocyanate
TL;DR: 4-Hydroxynaphthalen-1-yl thiocyanate (CAS 66800-27-9) is a chemical compound with molecular formula C11H7NOS and molecular weight 201.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxynaphthalen-1-yl) thiocyanate
Also Known As: 4-Thiocyano-1-naphthol, 4-hydroxynaphthalen-1-yl thiocyanate, (4-hydroxynaphthalen-1-yl) thiocyanate, 4-Hydroxy-1-naphthyl thiocyanate, Thiocyanic acid, 4-hydroxy-1-naphthalenyl ester
| Molecular Formula | C11H7NOS |
|---|---|
| Molecular Weight | 201.02 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.02484 |
| Heavy Atoms | 14 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 66800-27-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2SC#N)O |
| InChIKey | KVFAHZPKQSOLAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxynaphthalen-1-yl thiocyanate (CAS 66800-27-9), with molecular formula C11H7NOS and molecular weight 201.02 g/mol. IUPAC: (4-hydroxynaphthalen-1-yl) thiocyanate.
Chemical Property Profile of 4-Hydroxynaphthalen-1-yl thiocyanate
Property Insights of 4-Hydroxynaphthalen-1-yl thiocyanate
The XLogP value of 3.9 indicates that 4-Hydroxynaphthalen-1-yl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxynaphthalen-1-yl thiocyanate. Following Lipinski's Rule of Five, 4-Hydroxynaphthalen-1-yl thiocyanate has 1 hydrogen bond donor(s) and 3 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-Hydroxynaphthalen-1-yl thiocyanate?
The CAS number of 4-Hydroxynaphthalen-1-yl thiocyanate is 66800-27-9.
What is the molecular formula of 4-Hydroxynaphthalen-1-yl thiocyanate?
The molecular formula of 4-Hydroxynaphthalen-1-yl thiocyanate is C11H7NOS.
What is the molecular weight of 4-Hydroxynaphthalen-1-yl thiocyanate?
The molecular weight of 4-Hydroxynaphthalen-1-yl thiocyanate is 201.02 g/mol.
Where can I buy 4-Hydroxynaphthalen-1-yl thiocyanate?
You can request a quote for 4-Hydroxynaphthalen-1-yl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxynaphthalen-1-yl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxynaphthalen-1-yl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.