4-Hydroxy-3-methoxyphenyl thiocyanate
TL;DR: 4-Hydroxy-3-methoxyphenyl thiocyanate (CAS 6096-21-5) is a chemical compound with molecular formula C8H7NO2S and molecular weight 181.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxy-3-methoxyphenyl) thiocyanate
Also Known As: 4-hydroxy-3-methoxyphenyl thiocyanate, 2-Methoxy-4-thiocyanatophenol, TimTec1_001446, [(4-hydroxy-3-methoxyphenyl)sulfanyl]formonitrile, (4-hydroxy-3-methoxyphenyl) thiocyanate
| Molecular Formula | C8H7NO2S |
|---|---|
| Molecular Weight | 181.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.01974 |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 6096-21-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)SC#N)O |
| InChIKey | VJFACVKPYJJDGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-3-methoxyphenyl thiocyanate (CAS 6096-21-5), with molecular formula C8H7NO2S and molecular weight 181.02 g/mol. IUPAC: (4-hydroxy-3-methoxyphenyl) thiocyanate.
Chemical Property Profile of 4-Hydroxy-3-methoxyphenyl thiocyanate
Property Insights of 4-Hydroxy-3-methoxyphenyl thiocyanate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-methoxyphenyl thiocyanate. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-3-methoxyphenyl thiocyanate. Following Lipinski's Rule of Five, 4-Hydroxy-3-methoxyphenyl thiocyanate has 1 hydrogen bond donor(s) and 4 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-Hydroxy-3-methoxyphenyl thiocyanate?
The CAS number of 4-Hydroxy-3-methoxyphenyl thiocyanate is 6096-21-5.
What is the molecular formula of 4-Hydroxy-3-methoxyphenyl thiocyanate?
The molecular formula of 4-Hydroxy-3-methoxyphenyl thiocyanate is C8H7NO2S.
What is the molecular weight of 4-Hydroxy-3-methoxyphenyl thiocyanate?
The molecular weight of 4-Hydroxy-3-methoxyphenyl thiocyanate is 181.02 g/mol.
Where can I buy 4-Hydroxy-3-methoxyphenyl thiocyanate?
You can request a quote for 4-Hydroxy-3-methoxyphenyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-3-methoxyphenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-methoxyphenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.