azane;ethenyl(dimethyl)sulfanium;osmium(2+);tris(trifluoromethanesulfonate)

C7H24F9N5O9OsS4 — CID 10952890

IUPACazane;ethenyl(dimethyl)sulfanium;osmium(2+);tris(trifluoromethanesulfonate)
SMILESC=C[S+](C)C.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2]
InChIInChI=1S/C4H9S.3CHF3O3S.5H3N.Os/c1-4-5(2)3;3*2-1(3,4)8(5,6)7;;;;;;/h4H,1H2,2-3H3;3*(H,5,6,7);5*1H3;/q+1;;;;;;;;;+2/p-3
InChIKeySCLVXXRXVGFZRG-UHFFFAOYSA-K
MW811.77 g/mol
LogP1.97
Rot. Bonds1

About azane;ethenyl(dimethyl)sulfanium;osmium(2+);tris(trifluoromethanesulfonate)

azane;ethenyl(dimethyl)sulfanium;osmium(2+);tris(trifluoromethanesulfonate) (PubChem CID 10952890) has the molecular formula C7H24F9N5O9OsS4 and a molecular weight of 811.77 g/mol. Its IUPAC name is azane;ethenyl(dimethyl)sulfanium;osmium(2+);tris(trifluoromethanesulfonate).

Molecular Properties

Compound Nameazane;ethenyl(dimethyl)sulfanium;osmium(2+);tris(trifluoromethanesulfonate)
PubChem CID10952890
Molecular FormulaC7H24F9N5O9OsS4
Molecular Weight811.77 g/mol
Exact Mass812.99
IUPAC Nameazane;ethenyl(dimethyl)sulfanium;osmium(2+);tris(trifluoromethanesulfonate)
SMILESC=C[S+](C)C.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2]
InChIInChI=1S/C4H9S.3CHF3O3S.5H3N.Os/c1-4-5(2)3;3*2-1(3,4)8(5,6)7;;;;;;/h4H,1H2,2-3H3;3*(H,5,6,7);5*1H3;/q+1;;;;;;;;;+2/p-3
InChIKeySCLVXXRXVGFZRG-UHFFFAOYSA-K
XLogP1.97
TPSA346.60 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.77
LogP ≤ 51.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

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pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
dimethylalumanylium;trifluoromethanesulfonate
CID 16688558
trifluoromethanesulfonate;trimethylstannanylium
CID 119095664
lanthanum(3+);tris(trifluoromethanesulfonate);hydrate
CID 71311383
oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)
CID 24866233
copper;bis(trifluoromethanesulfonate);trihydrate
CID 140682148

Frequently Asked Questions

What is the IUPAC name of azane;ethenyl(dimethyl)sulfanium;osmium(2+);tris(trifluoromethanesulfonate)?
The IUPAC name of azane;ethenyl(dimethyl)sulfanium;osmium(2+);tris(trifluoromethanesulfonate) (CID 10952890) is azane;ethenyl(dimethyl)sulfanium;osmium(2+);tris(trifluoromethanesulfonate).
What is the SMILES notation for azane;ethenyl(dimethyl)sulfanium;osmium(2+);tris(trifluoromethanesulfonate)?
The canonical SMILES for azane;ethenyl(dimethyl)sulfanium;osmium(2+);tris(trifluoromethanesulfonate) is C=C[S+](C)C.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2].
What is the InChIKey of azane;ethenyl(dimethyl)sulfanium;osmium(2+);tris(trifluoromethanesulfonate)?
The InChIKey is SCLVXXRXVGFZRG-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H9S.3CHF3O3S.5H3N.Os/c1-4-5(2)3;3*2-1(3,4)8(5,6)7;;;;;;/h4H,1H2,2-3H3;3*(H,5,6,7);5*1H3;/q+1;;;;;;;;;+2/p-3.
What are the key properties of azane;ethenyl(dimethyl)sulfanium;osmium(2+);tris(trifluoromethanesulfonate)?
azane;ethenyl(dimethyl)sulfanium;osmium(2+);tris(trifluoromethanesulfonate) has a molecular weight of 811.77 g/mol, XLogP of 1.97, 1 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethenyl(dimethyl)sulfanium;osmium(2+);tris(trifluoromethanesulfonate) is sourced from PubChem (CID 10952890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).