Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester
TL;DR: Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester (CAS 73909-01-0) is a chemical compound with molecular formula C9H8N2O3S and molecular weight 224.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxy-5-nitrophenyl)methyl thiocyanate
Also Known As: 2-Methoxy-5-nitrobenzyl thiocyanate, Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester, (2-methoxy-5-nitrophenyl)methyl thiocyanate, Thiocyanic acid, (2-methoxy-5-nitrophenyl)methyl ester, THIOCYANIC ACID 2-METHOXY-5-NITROBENZYL ESTER
| Molecular Formula | C9H8N2O3S |
|---|---|
| Molecular Weight | 224.03 g/mol |
| LogP | 2.31768 |
| Topological Polar Surface Area | 76.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.02556 |
| Heavy Atoms | 15 |
| Complexity | 414.30875 |
Chemical Identifiers
| CAS Number | 73909-01-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])CSC#N |
Product Overview
Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester (CAS 73909-01-0), with molecular formula C9H8N2O3S and molecular weight 224.03 g/mol. IUPAC: (2-methoxy-5-nitrophenyl)methyl thiocyanate.
Chemical Property Profile of Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester
Property Insights of Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester
The XLogP value of 2.31768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester. The TPSA of 76.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 2-methoxy-5-nitrobenzyl 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, 2-methoxy-5-nitrobenzyl ester?
The CAS number of Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester is 73909-01-0.
What is the molecular formula of Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester?
The molecular formula of Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester is C9H8N2O3S.
What is the molecular weight of Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester?
The molecular weight of Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester is 224.03 g/mol.
Where can I buy Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester?
You can request a quote for Thiocyanic acid, 2-methoxy-5-nitrobenzyl 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-methoxy-5-nitrobenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 2-methoxy-5-nitrobenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.