AC1L78AQ
3,3,5,5-tetrakis(aziridin-1-yl)-1-phenyl-1λ6-thia-2,4,6-triaza-3λ5,5λ5-diphosphacyclohexa-1,3,5-triene 1-oxide
Also Known As: 3,3,5,5-tetrakis(aziridin-1-yl)-1-phenyl-1|3,3,5,5-tetrakis(aziridin-1-yl)-1-phenyl-1lambda6-thia-2,4,6-tria|1H-1,4,6,3,5-Thiatriazadiphosphorine, 3,3,5,5-tetrakis(1-aziridinyl)-3,3,5,5-tetrahydro-1-phenyl-, 1-oxide|3,3,5,5-Tetrakis(1-aziridinyl)-3,3,5,5-tetrahydro-1-phenyl-1H-1,2,4,6,3,5-thiatriazadiphosphorine 1-oxide|3,3,5,5-tetrakis(aziridin-1-yl)-1-phenyl-1|E6-thia-2,4,6-triaza-3|E5,5|E5-diphosphacyclohexa-1,3,5-triene 1-oxide|3,3,5,5-tetrakis(aziridin-1-yl)-1-phenyl-1lambda4,2,4,6,3lambda5,5lambda5-thiatriazadiphosphinin-1-ium-1-olate|3,3,5,5-Tetrakis(aziridin-1-yl)-1-phenyl-1lambda6-thia-2,4,6-triaza-3lambda5,5lambda5-diphosphacyclohexa-1,3,5-triene 1-oxide|5,5-Bis(aziridin-1-yl)-3,3-bis(aziridin-1-yl)-1-phenyl-1lambda~6~,2,4,6,3lambda~5~,5lambda~5~-thiatriazadiphosphinin-1-one
| Molecular Formula | C14H21N7OP2S |
|---|---|
| Molecular Weight | 397.10034 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.10034 |
| Monoisotopic Mass | 397.10034 |
| Heavy Atoms | 25 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 77666-81-0 |
|---|---|
| SMILES | C1CN1P2(=NP(=NS(=N2)(=O)C3=CC=CC=C3)(N4CC4)N5CC5)N6CC6 |
| InChIKey | NRLYDHMLLSUGCC-UHFFFAOYSA-N |
Product Overview
AC1L78AQ (CAS 77666-81-0), with molecular formula C14H21N7OP2S and molecular weight 397.10034 g/mol. IUPAC: 3,3,5,5-tetrakis(aziridin-1-yl)-1-phenyl-1λ6-thia-2,4,6-triaza-3λ5,5λ5-diphosphacyclohexa-1,3,5-triene 1-oxide.