N,N,N-Tributyl-1-butanaminium azidotriphenyl(thiocyanato-N)plumbate(1-)

HCID 6367175

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Basic information

CAS: 158882-72-5
Standard SMILES: CCCC[N+](CCCC)(CCCC)CCCC.N#C[S-].[N-]=[N+]=[N-].[Pb].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIKey: XWMRPWUCFKHHQX-UHFFFAOYSA-M
Molecular formula: C35H51N5PbS-4
Average molar mass: 781 g/mol
Monoisotopic mass: 781.36317

Names & identifiers

Preferred name: N,N,N-Tributyl-1-butanaminium azidotriphenyl(thiocyanato-N)plumbate(1-)

Names & synonyms

N,N,N-Tributyl-1-butanaminium azidotriphenyl(thiocyanato-N)plumbate(1-)158882-72-51-Butanaminium, N,N,N-tributyl-, azidotriphenyl(thiocyanato-N)plumbate(1-)DTXSID501080848

Database identifiers

CAS: 158882-72-5
PubChem CID: 6367175
DTXSID: DTXSID501080848

Properties

Computed structural properties

Topological polar surface area: 27.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 12
Heavy atoms: 42
Formal charge: -4
Complexity: 255

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