AC1Q7EXK
2,2,4,4,6,6,8,8-octaisothiocyanato-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
Also Known As: E5-tetrazatetraphosphocine|N4 P4 (N C S)8|E5,4|E5,6|E5,8|Phosphonitrile isothiocyanate, cyclic tetramer|2,2,4,4,6,6,8,8-octaisothiocyanato-1,3,5,7,2|E5,4|E5,6|E5,8|E5-tetrazatetraphosphocine|2,2,4,4,6,6,8,8-octaisothiocyanato-1,3,5,7,2|2,2,4,4,6,6,8,8-octaisothiocyanato-1,3,5,7-tetraza-2|2,2,4,4,6,6,8,8-octaisothiocyanato-1,3,5,7-tetraza-2lambda5,4lambda5,6|octaisothiocyanato-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetrazatetraphosphocine|1,3,5,7,2,4,6,8-Tetrazatetraphosphocine, 2,2,4,4,6,6,8,8-octahydro-2,2,4,4,6,6,8,8-octaisothiocyanato-|1,5,7,2,4,6,8-Tetrazatetraphosphocine, 2,2,4,4,6,6,8,8-octahydro-2,2,4,4,6,6,8,8-octaisothiocyanato-|2,2,4,4,6,6,8,8-Octaisothiocyanato-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetrazatetraphosphocine|2,2,4,4,6,6,8,8-Octaisothiocyanato-1,3,5,7-tetraaza-2,4,6,8-tetraphosphacycloocta-1,3,5,7-tetrene
| Molecular Formula | C8N12P4S8 |
|---|---|
| Molecular Weight | 643.7085 g/mol |
| LogP | 14.6 |
| Topological Polar Surface Area | 405.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 8 |
| Exact Mass | 643.7085 |
| Monoisotopic Mass | 643.7085 |
| Heavy Atoms | 32 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 77-82-7 |
|---|---|
| SMILES | C(=NP1(=NP(=NP(=NP(=N1)(N=C=S)N=C=S)(N=C=S)N=C=S)(N=C=S)N=C=S)N=C=S)=S |
| InChIKey | UDRFJPDGOWSGQB-UHFFFAOYSA-N |
Product Overview
AC1Q7EXK (CAS 77-82-7), with molecular formula C8N12P4S8 and molecular weight 643.7085 g/mol. IUPAC: 2,2,4,4,6,6,8,8-octaisothiocyanato-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene.