cobalt;bis(ethanethioic O-acid)

C4H8CoO2S2 — CID 178067462

IUPACcobalt;bis(ethanethioic O-acid)
SMILESCC(O)=S.CC(O)=S.[Co]
InChIInChI=1S/2C2H4OS.Co/c2*1-2(3)4;/h2*1H3,(H,3,4);
InChIKeyKVLVGOCHISKCIT-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.78
Rot. Bonds

About cobalt;bis(ethanethioic O-acid)

cobalt;bis(ethanethioic O-acid) (PubChem CID 178067462) has the molecular formula C4H8CoO2S2 and a molecular weight of 211.17 g/mol. Its IUPAC name is cobalt;bis(ethanethioic O-acid).

Molecular Properties

Compound Namecobalt;bis(ethanethioic O-acid)
PubChem CID178067462
Molecular FormulaC4H8CoO2S2
Molecular Weight211.17 g/mol
Exact Mass210.93
IUPAC Namecobalt;bis(ethanethioic O-acid)
SMILESCC(O)=S.CC(O)=S.[Co]
InChIInChI=1S/2C2H4OS.Co/c2*1-2(3)4;/h2*1H3,(H,3,4);
InChIKeyKVLVGOCHISKCIT-UHFFFAOYSA-N
XLogP1.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt;bis(ethanethioic O-acid)?
The IUPAC name of cobalt;bis(ethanethioic O-acid) (CID 178067462) is cobalt;bis(ethanethioic O-acid).
What is the SMILES notation for cobalt;bis(ethanethioic O-acid)?
The canonical SMILES for cobalt;bis(ethanethioic O-acid) is CC(O)=S.CC(O)=S.[Co].
What is the InChIKey of cobalt;bis(ethanethioic O-acid)?
The InChIKey is KVLVGOCHISKCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4OS.Co/c2*1-2(3)4;/h2*1H3,(H,3,4);.
What are the key properties of cobalt;bis(ethanethioic O-acid)?
cobalt;bis(ethanethioic O-acid) has a molecular weight of 211.17 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(ethanethioic O-acid) is sourced from PubChem (CID 178067462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).