1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane

HCID 339697

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Basic information

CAS: 81267-91-6
Standard SMILES: FC(F)(F)SN1CN(SC(F)(F)F)CN(SC(F)(F)F)CN(SC(F)(F)F)C1
InChIKey: LPGLJOXNBZMWHE-UHFFFAOYSA-N
Molecular formula: C8H8F12N4S4
Average molar mass: 516.4 g/mol
Monoisotopic mass: 515.9440189

Names & identifiers

Preferred name: 1,3,5,7-Tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane
IUPAC: 1,3,5,7-tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocane

Names & synonyms

81267-91-6NSC3673971,3,5,7-tetrakis(trifluoromethylsulfanyl)-1,3,5,7-tetrazocaneDTXSID40320976NSC-3673971,3,5,7-Tetrakis[(trifluoromethyl)sulfanyl]-1,3,5,7-tetrazocane

Database identifiers

CAS: 81267-91-6
PubChem CID: 339697
DTXSID: DTXSID40320976

Properties

Computed structural properties

XLogP: 7.1
Topological polar surface area: 114 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 20
Rotatable bonds: 4
Heavy atoms: 28
Formal charge: 0
Complexity: 390

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