Thiocyanic acid, (5-nitro-2-furanyl)methyl ester
TL;DR: Thiocyanic acid, (5-nitro-2-furanyl)methyl ester (CAS 4063-38-1) is a chemical compound with molecular formula C6H4N2O3S and molecular weight 183.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-nitrofuran-2-yl)methyl thiocyanate
Also Known As: methylthiocyanate, Cyto2H5, (5-Nitro-2-furanyl)methyl thiocyanate, (5-nitrofuran-2-yl)methyl thiocyanate, 5-Nitro-2-thiocyanatomethyl-furan
| Molecular Formula | C6H4N2O3S |
|---|---|
| Molecular Weight | 183.99 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.99426 |
| Heavy Atoms | 12 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 4063-38-1 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])CSC#N |
| InChIKey | PROZIAZOBMCIQZ-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, (5-nitro-2-furanyl)methyl ester (CAS 4063-38-1), with molecular formula C6H4N2O3S and molecular weight 183.99 g/mol. IUPAC: (5-nitrofuran-2-yl)methyl thiocyanate.
Chemical Property Profile of Thiocyanic acid, (5-nitro-2-furanyl)methyl ester
Property Insights of Thiocyanic acid, (5-nitro-2-furanyl)methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, (5-nitro-2-furanyl)methyl ester. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, (5-nitro-2-furanyl)methyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, (5-nitro-2-furanyl)methyl 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, (5-nitro-2-furanyl)methyl ester?
The CAS number of Thiocyanic acid, (5-nitro-2-furanyl)methyl ester is 4063-38-1.
What is the molecular formula of Thiocyanic acid, (5-nitro-2-furanyl)methyl ester?
The molecular formula of Thiocyanic acid, (5-nitro-2-furanyl)methyl ester is C6H4N2O3S.
What is the molecular weight of Thiocyanic acid, (5-nitro-2-furanyl)methyl ester?
The molecular weight of Thiocyanic acid, (5-nitro-2-furanyl)methyl ester is 183.99 g/mol.
Where can I buy Thiocyanic acid, (5-nitro-2-furanyl)methyl ester?
You can request a quote for Thiocyanic acid, (5-nitro-2-furanyl)methyl 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, (5-nitro-2-furanyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, (5-nitro-2-furanyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.