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

C7H23F6N5O6OsS3 — CID 135047414

IUPACazane;(1Z)-1-methylsulfanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)
SMILESC=C/C=C\SC.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/C5H8S.2CHF3O3S.5H3N.Os/c1-3-4-5-6-2;2*2-1(3,4)8(5,6)7;;;;;;/h3-5H,1H2,2H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2/b5-4-;;;;;;;;
InChIKeyHSGLPGBQLGWTNX-XPOPMFIKSA-L
MW673.71 g/mol
LogP2.96
Rot. Bonds2

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

azane;(1Z)-1-methylsulfanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate) (PubChem CID 135047414) has the molecular formula C7H23F6N5O6OsS3 and a molecular weight of 673.71 g/mol. Its IUPAC name is azane;(1Z)-1-methylsulfanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Nameazane;(1Z)-1-methylsulfanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)
PubChem CID135047414
Molecular FormulaC7H23F6N5O6OsS3
Molecular Weight673.71 g/mol
Exact Mass675.03
IUPAC Nameazane;(1Z)-1-methylsulfanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)
SMILESC=C/C=C\SC.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/C5H8S.2CHF3O3S.5H3N.Os/c1-3-4-5-6-2;2*2-1(3,4)8(5,6)7;;;;;;/h3-5H,1H2,2H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2/b5-4-;;;;;;;;
InChIKeyHSGLPGBQLGWTNX-XPOPMFIKSA-L
XLogP2.96
TPSA289.40 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.71
LogP ≤ 52.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

Azane;(1-methylthiophen-1-yl) trifluoromethanesulfonate;osmium(2+);bis(trifluoromethanesulfonate)
CID 15347321
azane;(1Z)-1-methylselanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)
CID 11039853

Frequently Asked Questions

What is the IUPAC name of azane;(1Z)-1-methylsulfanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)?
The IUPAC name of azane;(1Z)-1-methylsulfanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate) (CID 135047414) is azane;(1Z)-1-methylsulfanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate).
What is the SMILES notation for azane;(1Z)-1-methylsulfanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)?
The canonical SMILES for azane;(1Z)-1-methylsulfanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate) is C=C/C=C\SC.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;(1Z)-1-methylsulfanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)?
The InChIKey is HSGLPGBQLGWTNX-XPOPMFIKSA-L. The full InChI is InChI=1S/C5H8S.2CHF3O3S.5H3N.Os/c1-3-4-5-6-2;2*2-1(3,4)8(5,6)7;;;;;;/h3-5H,1H2,2H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2/b5-4-;;;;;;;;.
What are the key properties of azane;(1Z)-1-methylsulfanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)?
azane;(1Z)-1-methylsulfanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate) has a molecular weight of 673.71 g/mol, XLogP of 2.96, 2 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(1Z)-1-methylsulfanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 135047414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).