carbon monoxide;bis(1,1-dioxo-1,2-benzothiazol-3-olate);bis(ruthenium(1+))

C20H8N2O12Ru2S2 — CID 11585754

IUPACcarbon monoxide;bis(1,1-dioxo-1,2-benzothiazol-3-olate);bis(ruthenium(1+))
SMILESO=S1(=O)N=C([O-])c2ccccc21.O=S1(=O)N=C([O-])c2ccccc21.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru+].[Ru+]
InChIInChI=1S/2C7H5NO3S.6CO.2Ru/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;6*1-2;;/h2*1-4H,(H,8,9);;;;;;;;/q;;;;;;;;2*+1/p-2
InChIKeyFDCHWXZVQKAIMJ-UHFFFAOYSA-L
MW734.56 g/mol
LogP-1.24
Rot. Bonds

About carbon monoxide;bis(1,1-dioxo-1,2-benzothiazol-3-olate);bis(ruthenium(1+))

carbon monoxide;bis(1,1-dioxo-1,2-benzothiazol-3-olate);bis(ruthenium(1+)) (PubChem CID 11585754) has the molecular formula C20H8N2O12Ru2S2 and a molecular weight of 734.56 g/mol. Its IUPAC name is carbon monoxide;bis(1,1-dioxo-1,2-benzothiazol-3-olate);bis(ruthenium(1+)).

Molecular Properties

Compound Namecarbon monoxide;bis(1,1-dioxo-1,2-benzothiazol-3-olate);bis(ruthenium(1+))
PubChem CID11585754
Molecular FormulaC20H8N2O12Ru2S2
Molecular Weight734.56 g/mol
Exact Mass735.76
IUPAC Namecarbon monoxide;bis(1,1-dioxo-1,2-benzothiazol-3-olate);bis(ruthenium(1+))
SMILESO=S1(=O)N=C([O-])c2ccccc21.O=S1(=O)N=C([O-])c2ccccc21.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru+].[Ru+]
InChIInChI=1S/2C7H5NO3S.6CO.2Ru/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;6*1-2;;/h2*1-4H,(H,8,9);;;;;;;;/q;;;;;;;;2*+1/p-2
InChIKeyFDCHWXZVQKAIMJ-UHFFFAOYSA-L
XLogP-1.24
TPSA258.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500734.56
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;bis(1,1-dioxo-1,2-benzothiazol-3-olate);bis(ruthenium(1+))?
The IUPAC name of carbon monoxide;bis(1,1-dioxo-1,2-benzothiazol-3-olate);bis(ruthenium(1+)) (CID 11585754) is carbon monoxide;bis(1,1-dioxo-1,2-benzothiazol-3-olate);bis(ruthenium(1+)).
What is the SMILES notation for carbon monoxide;bis(1,1-dioxo-1,2-benzothiazol-3-olate);bis(ruthenium(1+))?
The canonical SMILES for carbon monoxide;bis(1,1-dioxo-1,2-benzothiazol-3-olate);bis(ruthenium(1+)) is O=S1(=O)N=C([O-])c2ccccc21.O=S1(=O)N=C([O-])c2ccccc21.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru+].[Ru+].
What is the InChIKey of carbon monoxide;bis(1,1-dioxo-1,2-benzothiazol-3-olate);bis(ruthenium(1+))?
The InChIKey is FDCHWXZVQKAIMJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H5NO3S.6CO.2Ru/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;6*1-2;;/h2*1-4H,(H,8,9);;;;;;;;/q;;;;;;;;2*+1/p-2.
What are the key properties of carbon monoxide;bis(1,1-dioxo-1,2-benzothiazol-3-olate);bis(ruthenium(1+))?
carbon monoxide;bis(1,1-dioxo-1,2-benzothiazol-3-olate);bis(ruthenium(1+)) has a molecular weight of 734.56 g/mol, XLogP of -1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;bis(1,1-dioxo-1,2-benzothiazol-3-olate);bis(ruthenium(1+)) is sourced from PubChem (CID 11585754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).