2-oxo-2-(10H-phenothiazin-10-yl)ethyl thiocyanate
TL;DR: 2-oxo-2-(10H-phenothiazin-10-yl)ethyl thiocyanate (CAS 117456-43-6) is a chemical compound with molecular formula C15H10N2OS2 and molecular weight 298.02347 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-oxo-2-phenothiazin-10-ylethyl) thiocyanate
Also Known As: 10-(thiocyanatoacetyl)phenothiazine, (2-oxo-2-phenothiazin-10-ylethyl) thiocyanate, 2-oxo-2-(10H-phenothiazin-10-yl)ethyl thiocyanate, AJ-292/14596074, 1-(10H-phenothiazin-10-yl)-2-thiocyanatoethanone
Technical Specifications
| Molecular Formula | C15H10N2OS2 |
| Molecular Weight | 298.02347 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 94.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.02347 Da |
| Heavy Atoms | 20 |
| Complexity | 397.0 |
| SMILES | C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC#N |
| InChIKey | LKQWYCHLNLZIPG-UHFFFAOYSA-N |
Chemical Property Profile of 2-oxo-2-(10H-phenothiazin-10-yl)ethyl thiocyanate
Property Insights of 2-oxo-2-(10H-phenothiazin-10-yl)ethyl thiocyanate
The XLogP value of 3.7 indicates that 2-oxo-2-(10H-phenothiazin-10-yl)ethyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-2-(10H-phenothiazin-10-yl)ethyl thiocyanate. Following Lipinski's Rule of Five, 2-oxo-2-(10H-phenothiazin-10-yl)ethyl 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 2-oxo-2-(10H-phenothiazin-10-yl)ethyl thiocyanate?
The CAS number of 2-oxo-2-(10H-phenothiazin-10-yl)ethyl thiocyanate is 117456-43-6.
What is the molecular formula of 2-oxo-2-(10H-phenothiazin-10-yl)ethyl thiocyanate?
The molecular formula of 2-oxo-2-(10H-phenothiazin-10-yl)ethyl thiocyanate is C15H10N2OS2.
What is the molecular weight of 2-oxo-2-(10H-phenothiazin-10-yl)ethyl thiocyanate?
The molecular weight of 2-oxo-2-(10H-phenothiazin-10-yl)ethyl thiocyanate is 298.02347 g/mol.
Where can I buy 2-oxo-2-(10H-phenothiazin-10-yl)ethyl thiocyanate?
You can request a quote for 2-oxo-2-(10H-phenothiazin-10-yl)ethyl thiocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-oxo-2-(10H-phenothiazin-10-yl)ethyl thiocyanate?
Yes, CoreyChem provides custom synthesis services for 2-oxo-2-(10H-phenothiazin-10-yl)ethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.