Thiocyanic acid, 4-methoxy-2-nitrophenyl ester
TL;DR: Thiocyanic acid, 4-methoxy-2-nitrophenyl ester (CAS 59607-71-5) is a chemical compound with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxy-2-nitrophenyl) thiocyanate
Also Known As: 4-Methoxy-2-nitrophenylthiocyanate, Thiocyanic acid, 4-methoxy-2-nitrophenyl ester, 4-methoxy-2-nitrophenyl thiocyanate, 3-nitro-4-thiocyanatoanisole, (4-methoxy-2-nitrophenyl) thiocyanate
| Molecular Formula | C8H6N2O3S |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.00992 |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 59607-71-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)SC#N)[N+](=O)[O-] |
| InChIKey | NZBABHFYCIWRBJ-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 4-methoxy-2-nitrophenyl ester (CAS 59607-71-5), with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol. IUPAC: (4-methoxy-2-nitrophenyl) thiocyanate.
Chemical Property Profile of Thiocyanic acid, 4-methoxy-2-nitrophenyl ester
Property Insights of Thiocyanic acid, 4-methoxy-2-nitrophenyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, 4-methoxy-2-nitrophenyl ester. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 4-methoxy-2-nitrophenyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 4-methoxy-2-nitrophenyl ester has 0 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 Thiocyanic acid, 4-methoxy-2-nitrophenyl ester?
The CAS number of Thiocyanic acid, 4-methoxy-2-nitrophenyl ester is 59607-71-5.
What is the molecular formula of Thiocyanic acid, 4-methoxy-2-nitrophenyl ester?
The molecular formula of Thiocyanic acid, 4-methoxy-2-nitrophenyl ester is C8H6N2O3S.
What is the molecular weight of Thiocyanic acid, 4-methoxy-2-nitrophenyl ester?
The molecular weight of Thiocyanic acid, 4-methoxy-2-nitrophenyl ester is 210.01 g/mol.
Where can I buy Thiocyanic acid, 4-methoxy-2-nitrophenyl ester?
You can request a quote for Thiocyanic acid, 4-methoxy-2-nitrophenyl 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, 4-methoxy-2-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 4-methoxy-2-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.