3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(dimethoxyphosphinothioyl)-, dichloride

HCID 3086743

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Basic information

CAS: 111854-46-7
Standard SMILES: COP(=S)(OC)N1CC[N+]2(CC1)CC[N+]1(CCN(P(=S)(OC)OC)CC1)CC2.[Cl-].[Cl-]
InChIKey: HVYFSXKPBIUMPA-UHFFFAOYSA-L
Molecular formula: C16H36Cl2N4O4P2S2
Average molar mass: 545.5 g/mol
Monoisotopic mass: 544.1030274

Names & identifiers

Preferred name: 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(dimethoxyphosphinothioyl)-, dichloride
IUPAC: (12-dimethoxyphosphinothioyl-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl)-dimethoxy-sulfanylidene-λ5-phosphane dichloride

Names & synonyms

N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(dimethoxyphosphinothioyl)-, dichloride111854-46-7RefChem:269783DTXSID109205833,12-Bis(dimethoxyphosphorothioyl)-3,6,9,12-tetraazadispiro[5.2.5~9~.2~6~]hexadecane-6,9-diium dichloride

Database identifiers

CAS: 111854-46-7
PubChem CID: 3086743
DTXSID: DTXSID10920583

Properties

Computed structural properties

Topological polar surface area: 108 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 10
Rotatable bonds: 6
Heavy atoms: 30
Formal charge: 0
Complexity: 558

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