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
Basic information
- CAS
77666-81-0- Standard SMILES
O=S1(c2ccccc2)=NP(N2CC2)(N2CC2)=NP(N2CC2)(N2CC2)=N1- InChIKey
NRLYDHMLLSUGCC-UHFFFAOYSA-N- Molecular formula
- C14H21N7OP2S
- Average molar mass
- 397.38 g/mol
- Monoisotopic mass
- 397.10035349
Names & identifiers
- Preferred name
- 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
- 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
- English name
- 3,3,5,5-Tetrakis(1-aziridinyl)-3,3,5,5-tetrahydro-1-phenyl-1H-1,2,4,6,3,5-thiatriazadiphosphorine 1-oxide
- Molecular weight
- 0
Names & synonyms
NSC32122177666-81-0DTXSID20317864NSC-3212211H-1,4,6,3,5-Thiatriazadiphosphorine, 3,3,5,5-tetrakis(1-aziridinyl)-3,3,5,5-tetrahydro-1-phenyl-, 1-oxide5,5-Bis(aziridin-1-yl)-3,3-bis(aziridin-1-yl)-1-phenyl-1lambda~6~,2,4,6,3lambda~5~,5lambda~5~-thiatriazadiphosphinin-1-one3,3,5,5-Tetrakis(1-aziridinyl)-3,3,5,5-tetrahydro-1-phenyl-1H-1,2,4,6,3,5-thiatriazadiphosphorine 1-oxide
Database identifiers
- CAS
77666-81-0- PubChem CID
- 331099
- DTXSID
DTXSID20317864- Nikkaji
- J211.363E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 741
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…