bis(ethoxymethanedithioic acid);ruthenium(2+)

C6H12O2RuS4+2 — CID 50910321

IUPACbis(ethoxymethanedithioic acid);ruthenium(2+)
SMILESCCOC(=S)S.CCOC(=S)S.[Ru+2]
InChIInChI=1S/2C3H6OS2.Ru/c2*1-2-4-3(5)6;/h2*2H2,1H3,(H,5,6);/q;;+2
InChIKeyBUPRGBCWWTYIMR-UHFFFAOYSA-N
MW345.50 g/mol
LogP2.47
Rot. Bonds2

About bis(ethoxymethanedithioic acid);ruthenium(2+)

bis(ethoxymethanedithioic acid);ruthenium(2+) (PubChem CID 50910321) has the molecular formula C6H12O2RuS4+2 and a molecular weight of 345.50 g/mol. Its IUPAC name is bis(ethoxymethanedithioic acid);ruthenium(2+).

Molecular Properties

Compound Namebis(ethoxymethanedithioic acid);ruthenium(2+)
PubChem CID50910321
Molecular FormulaC6H12O2RuS4+2
Molecular Weight345.50 g/mol
Exact Mass345.88
IUPAC Namebis(ethoxymethanedithioic acid);ruthenium(2+)
SMILESCCOC(=S)S.CCOC(=S)S.[Ru+2]
InChIInChI=1S/2C3H6OS2.Ru/c2*1-2-4-3(5)6;/h2*2H2,1H3,(H,5,6);/q;;+2
InChIKeyBUPRGBCWWTYIMR-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(ethoxymethanedithioic acid);ruthenium(2+)?
The IUPAC name of bis(ethoxymethanedithioic acid);ruthenium(2+) (CID 50910321) is bis(ethoxymethanedithioic acid);ruthenium(2+).
What is the SMILES notation for bis(ethoxymethanedithioic acid);ruthenium(2+)?
The canonical SMILES for bis(ethoxymethanedithioic acid);ruthenium(2+) is CCOC(=S)S.CCOC(=S)S.[Ru+2].
What is the InChIKey of bis(ethoxymethanedithioic acid);ruthenium(2+)?
The InChIKey is BUPRGBCWWTYIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6OS2.Ru/c2*1-2-4-3(5)6;/h2*2H2,1H3,(H,5,6);/q;;+2.
What are the key properties of bis(ethoxymethanedithioic acid);ruthenium(2+)?
bis(ethoxymethanedithioic acid);ruthenium(2+) has a molecular weight of 345.50 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethoxymethanedithioic acid);ruthenium(2+) is sourced from PubChem (CID 50910321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).