4-Methoxy-1-naphthyl thiocyanate
TL;DR: 4-Methoxy-1-naphthyl thiocyanate (CAS 66231-77-4) is a chemical compound with molecular formula C12H9NOS and molecular weight 215.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxynaphthalen-1-yl) thiocyanate
Also Known As: 4-Methoxy-1-naphthyl thiocyanate, 1-methoxy-4-thiocyanatonaphthalene, (4-methoxynaphthalen-1-yl) thiocyanate, 1-Methoxy-4-thiocyanato-naphthalin, (4-Methoxy-1-naphthyl) thiocyanate
| Molecular Formula | C12H9NOS |
|---|---|
| Molecular Weight | 215.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.04048 |
| Heavy Atoms | 15 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 66231-77-4 |
|---|---|
| SMILES | COC1=CC=C(C2=CC=CC=C21)SC#N |
| InChIKey | AQBMFRXFXLTEOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxy-1-naphthyl thiocyanate (CAS 66231-77-4), with molecular formula C12H9NOS and molecular weight 215.04 g/mol. IUPAC: (4-methoxynaphthalen-1-yl) thiocyanate.
Chemical Property Profile of 4-Methoxy-1-naphthyl thiocyanate
Property Insights of 4-Methoxy-1-naphthyl thiocyanate
The XLogP value of 3.7 indicates that 4-Methoxy-1-naphthyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.3 Ų, 4-Methoxy-1-naphthyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-1-naphthyl thiocyanate has 0 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-Methoxy-1-naphthyl thiocyanate?
The CAS number of 4-Methoxy-1-naphthyl thiocyanate is 66231-77-4.
What is the molecular formula of 4-Methoxy-1-naphthyl thiocyanate?
The molecular formula of 4-Methoxy-1-naphthyl thiocyanate is C12H9NOS.
What is the molecular weight of 4-Methoxy-1-naphthyl thiocyanate?
The molecular weight of 4-Methoxy-1-naphthyl thiocyanate is 215.04 g/mol.
Where can I buy 4-Methoxy-1-naphthyl thiocyanate?
You can request a quote for 4-Methoxy-1-naphthyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-1-naphthyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-1-naphthyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.