RefChem:1095475
[(E)-(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] azepane-1-carboxylate
Also Known As: AI3-27665|Phosphorothioic acid, O,O-diethyl O-(4-(((((hexahydro-1H-azepin-1-yl)carbonyl)oxy)imino)methyl)phenyl) ester
CAS: 22935-76-8
| Molecular Formula | C18H27N2O5PS |
|---|---|
| Molecular Weight | 414.13782 g/mol |
| LogP | 4.7094 |
| Topological Polar Surface Area | 69.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.13782 |
| Monoisotopic Mass | 414.13782 |
| Heavy Atoms | 27 |
| Complexity | 650.22076 |
Chemical Identifiers
| CAS Number | 22935-76-8 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=CC=C(C=C1)/C=N/OC(=O)N2CCCCCC2 |
Product Overview
RefChem:1095475 (CAS 22935-76-8), with molecular formula C18H27N2O5PS and molecular weight 414.13782 g/mol. IUPAC: [(E)-(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] azepane-1-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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