bis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion

C8H18Co2N4O4S2-2 — CID 6399528

IUPACbis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion
SMILESCCCC[S-].CCCC[S-].[Co+2].[Co+2].[N-]=O.[N-]=O.[N-]=O.[N-]=O
InChIInChI=1S/2C4H10S.2Co.4NO/c2*1-2-3-4-5;;;4*1-2/h2*5H,2-4H2,1H3;;;;;;/q;;2*+2;4*-1/p-2
InChIKeyFSHHYVAPGVVPTK-UHFFFAOYSA-L
MW416.26 g/mol
LogP3.95
Rot. Bonds4

About bis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion

bis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion (PubChem CID 6399528) has the molecular formula C8H18Co2N4O4S2-2 and a molecular weight of 416.26 g/mol. Its IUPAC name is bis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion.

Molecular Properties

Compound Namebis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion
PubChem CID6399528
Molecular FormulaC8H18Co2N4O4S2-2
Molecular Weight416.26 g/mol
Exact Mass415.94
IUPAC Namebis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion
SMILESCCCC[S-].CCCC[S-].[Co+2].[Co+2].[N-]=O.[N-]=O.[N-]=O.[N-]=O
InChIInChI=1S/2C4H10S.2Co.4NO/c2*1-2-3-4-5;;;4*1-2/h2*5H,2-4H2,1H3;;;;;;/q;;2*+2;4*-1/p-2
InChIKeyFSHHYVAPGVVPTK-UHFFFAOYSA-L
XLogP3.95
TPSA157.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.26
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

tetrakis(butane-1-thiolate);tin(4+)
CID 102601027
tris(butane-1-thiolate);ethyltin(3+)
CID 21415777
docosane-1-thiolate
CID 102062479
silver hexadecane-1-thiolate
CID 100970430
manganese(2+);bis(octane-1-thiolate)
CID 88657665
silver octadecane-1-thiolate
CID 22348633
hexane-1-thiolate;titanium(4+)
CID 172788894
potassium octane-1-thiolate
CID 23682502
CID 173438464
CID 173438464
mercury(2+);pentane-1-thiolate;iodide
CID 101041651
gold(1+);tetradecane-1-thiolate
CID 118692951
butane-1-thiolate;tributylstannanylium
CID 6102132

Frequently Asked Questions

What is the IUPAC name of bis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion?
The IUPAC name of bis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion (CID 6399528) is bis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion.
What is the SMILES notation for bis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion?
The canonical SMILES for bis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion is CCCC[S-].CCCC[S-].[Co+2].[Co+2].[N-]=O.[N-]=O.[N-]=O.[N-]=O.
What is the InChIKey of bis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion?
The InChIKey is FSHHYVAPGVVPTK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H10S.2Co.4NO/c2*1-2-3-4-5;;;4*1-2/h2*5H,2-4H2,1H3;;;;;;/q;;2*+2;4*-1/p-2.
What are the key properties of bis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion?
bis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion has a molecular weight of 416.26 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion is sourced from PubChem (CID 6399528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).