3-Nitro-1-azulenyl thiocyanate
TL;DR: 3-Nitro-1-azulenyl thiocyanate (CAS 103566-11-6) is a chemical compound with molecular formula C11H6N2O2S and molecular weight 230.015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-nitroazulen-1-yl) thiocyanate
Also Known As: 3-nitro-1-azulenyl thiocyanate, 1-nitro-3-thiocyanato-azulene, (3-nitroazulen-1-yl) thiocyanate, 659-455-4
Technical Specifications
| Molecular Formula | C11H6N2O2S |
| Molecular Weight | 230.015 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.015 Da |
| Heavy Atoms | 16 |
| Complexity | 320.0 |
| SMILES | C1=CC=C2C(=C(C=C2[N+](=O)[O-])SC#N)C=C1 |
| InChIKey | YPYXEKNGAIHKJC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Nitro-1-azulenyl thiocyanate
Property Insights of 3-Nitro-1-azulenyl thiocyanate
The XLogP value of 3.3 indicates that 3-Nitro-1-azulenyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-1-azulenyl thiocyanate. Following Lipinski's Rule of Five, 3-Nitro-1-azulenyl thiocyanate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Nitro-1-azulenyl thiocyanate?
The CAS number of 3-Nitro-1-azulenyl thiocyanate is 103566-11-6.
What is the molecular formula of 3-Nitro-1-azulenyl thiocyanate?
The molecular formula of 3-Nitro-1-azulenyl thiocyanate is C11H6N2O2S.
What is the molecular weight of 3-Nitro-1-azulenyl thiocyanate?
The molecular weight of 3-Nitro-1-azulenyl thiocyanate is 230.015 g/mol.
Where can I buy 3-Nitro-1-azulenyl thiocyanate?
You can request a quote for 3-Nitro-1-azulenyl thiocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitro-1-azulenyl thiocyanate?
Yes, CoreyChem provides custom synthesis services for 3-Nitro-1-azulenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.