Nitroscanate
TL;DR: Nitroscanate (CAS 19881-18-6) is a chemical compound with molecular formula C13H8N2O3S and molecular weight 272.02557 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-isothiocyanato-4-(4-nitrophenoxy)benzene
Also Known As: Nitroscanate, Cantrodifene, Lopatol, Nitroscanato, Nitroscanatum
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H8N2O3S |
| Molecular Weight | 272.02557 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 99.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.02557 Da |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
| SMILES | C1=CC(=CC=C1N=C=S)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | SVMGVZLUIWGYPH-UHFFFAOYSA-N |
Chemical Property Profile of Nitroscanate
Property Insights of Nitroscanate
The XLogP value of 5.1 indicates that Nitroscanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitroscanate. Following Lipinski's Rule of Five, Nitroscanate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Nitroscanate?
The CAS number of Nitroscanate is 19881-18-6.
What is the molecular formula of Nitroscanate?
The molecular formula of Nitroscanate is C13H8N2O3S.
What is the molecular weight of Nitroscanate?
The molecular weight of Nitroscanate is 272.02557 g/mol.
Where can I buy Nitroscanate?
You can request a quote for Nitroscanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nitroscanate?
Yes, CoreyChem provides custom synthesis services for Nitroscanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.