azane;(1-methylthiophen-1-yl) trifluoromethanesulfonate;osmium(2+);bis(trifluoromethanesulfonate)

C8H22F9N5O9OsS4 — CID 15347321

IUPACazane;(1-methylthiophen-1-yl) trifluoromethanesulfonate;osmium(2+);bis(trifluoromethanesulfonate)
SMILESCS1(OS(=O)(=O)C(F)(F)F)C=CC=C1.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2]
InChIInChI=1S/C6H7F3O3S2.2CHF3O3S.5H3N.Os/c1-13(4-2-3-5-13)12-14(10,11)6(7,8)9;2*2-1(3,4)8(5,6)7;;;;;;/h2-5H,1H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKeyMKCFPCNXHXXYNI-UHFFFAOYSA-L
MW821.77 g/mol
LogP3.15
Rot. Bonds2

About azane;(1-methylthiophen-1-yl) trifluoromethanesulfonate;osmium(2+);bis(trifluoromethanesulfonate)

azane;(1-methylthiophen-1-yl) trifluoromethanesulfonate;osmium(2+);bis(trifluoromethanesulfonate) (PubChem CID 15347321) has the molecular formula C8H22F9N5O9OsS4 and a molecular weight of 821.77 g/mol. Its IUPAC name is azane;(1-methylthiophen-1-yl) trifluoromethanesulfonate;osmium(2+);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Nameazane;(1-methylthiophen-1-yl) trifluoromethanesulfonate;osmium(2+);bis(trifluoromethanesulfonate)
PubChem CID15347321
Molecular FormulaC8H22F9N5O9OsS4
Molecular Weight821.77 g/mol
Exact Mass822.98
IUPAC Nameazane;(1-methylthiophen-1-yl) trifluoromethanesulfonate;osmium(2+);bis(trifluoromethanesulfonate)
SMILESCS1(OS(=O)(=O)C(F)(F)F)C=CC=C1.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2]
InChIInChI=1S/C6H7F3O3S2.2CHF3O3S.5H3N.Os/c1-13(4-2-3-5-13)12-14(10,11)6(7,8)9;2*2-1(3,4)8(5,6)7;;;;;;/h2-5H,1H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKeyMKCFPCNXHXXYNI-UHFFFAOYSA-L
XLogP3.15
TPSA332.77 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.77
LogP ≤ 53.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

azane;(1Z)-1-methylsulfanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)
CID 135047414
CID 176439615
CID 176439615

Frequently Asked Questions

What is the IUPAC name of azane;(1-methylthiophen-1-yl) trifluoromethanesulfonate;osmium(2+);bis(trifluoromethanesulfonate)?
The IUPAC name of azane;(1-methylthiophen-1-yl) trifluoromethanesulfonate;osmium(2+);bis(trifluoromethanesulfonate) (CID 15347321) is azane;(1-methylthiophen-1-yl) trifluoromethanesulfonate;osmium(2+);bis(trifluoromethanesulfonate).
What is the SMILES notation for azane;(1-methylthiophen-1-yl) trifluoromethanesulfonate;osmium(2+);bis(trifluoromethanesulfonate)?
The canonical SMILES for azane;(1-methylthiophen-1-yl) trifluoromethanesulfonate;osmium(2+);bis(trifluoromethanesulfonate) is CS1(OS(=O)(=O)C(F)(F)F)C=CC=C1.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2].
What is the InChIKey of azane;(1-methylthiophen-1-yl) trifluoromethanesulfonate;osmium(2+);bis(trifluoromethanesulfonate)?
The InChIKey is MKCFPCNXHXXYNI-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7F3O3S2.2CHF3O3S.5H3N.Os/c1-13(4-2-3-5-13)12-14(10,11)6(7,8)9;2*2-1(3,4)8(5,6)7;;;;;;/h2-5H,1H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2.
What are the key properties of azane;(1-methylthiophen-1-yl) trifluoromethanesulfonate;osmium(2+);bis(trifluoromethanesulfonate)?
azane;(1-methylthiophen-1-yl) trifluoromethanesulfonate;osmium(2+);bis(trifluoromethanesulfonate) has a molecular weight of 821.77 g/mol, XLogP of 3.15, 2 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(1-methylthiophen-1-yl) trifluoromethanesulfonate;osmium(2+);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 15347321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).