Thiocyanic acid, 2-amino-1-naphthalenyl ester
TL;DR: Thiocyanic acid, 2-amino-1-naphthalenyl ester (CAS 2476-69-9) is a chemical compound with molecular formula C11H8N2S and molecular weight 200.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-aminonaphthalen-1-yl) thiocyanate
Also Known As: 1-Thiocyanato-[2]naphthylamin, 2-Amino-1-naphthyl thiocyanate, Thiocyanic acid, 2-amino-1-naphthalenyl ester, 1-thiocyanatonaphthalene-2-amine, (2-amino-1-naphthyl) thiocyanate
| Molecular Formula | C11H8N2S |
|---|---|
| Molecular Weight | 200.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 75.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.04082 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 2476-69-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2SC#N)N |
| InChIKey | XMPBYXODMLJBAN-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 2-amino-1-naphthalenyl ester (CAS 2476-69-9), with molecular formula C11H8N2S and molecular weight 200.04 g/mol. IUPAC: (2-aminonaphthalen-1-yl) thiocyanate.
Chemical Property Profile of Thiocyanic acid, 2-amino-1-naphthalenyl ester
Property Insights of Thiocyanic acid, 2-amino-1-naphthalenyl ester
The XLogP value of 3.1 indicates that Thiocyanic acid, 2-amino-1-naphthalenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 2-amino-1-naphthalenyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 2-amino-1-naphthalenyl ester 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 Thiocyanic acid, 2-amino-1-naphthalenyl ester?
The CAS number of Thiocyanic acid, 2-amino-1-naphthalenyl ester is 2476-69-9.
What is the molecular formula of Thiocyanic acid, 2-amino-1-naphthalenyl ester?
The molecular formula of Thiocyanic acid, 2-amino-1-naphthalenyl ester is C11H8N2S.
What is the molecular weight of Thiocyanic acid, 2-amino-1-naphthalenyl ester?
The molecular weight of Thiocyanic acid, 2-amino-1-naphthalenyl ester is 200.04 g/mol.
Where can I buy Thiocyanic acid, 2-amino-1-naphthalenyl ester?
You can request a quote for Thiocyanic acid, 2-amino-1-naphthalenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 2-amino-1-naphthalenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 2-amino-1-naphthalenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.