bis(2-azanidylethylazanide);cobalt(3+);2-sulfaniumylethylazanide

C6H19CoN5S- — CID 3563098

IUPACbis(2-azanidylethylazanide);cobalt(3+);2-sulfaniumylethylazanide
SMILES[Co+3].[NH-]CC[NH-].[NH-]CC[NH-].[NH-]CC[SH2+]
InChIInChI=1S/2C2H6N2.C2H6NS.Co/c3*3-1-2-4;/h3*3-4H,1-2H2;/q2*-2;-1;+3/p+1
InChIKeyJSKGOPMFSJQPDW-UHFFFAOYSA-O
MW252.25 g/mol
LogP2.23
Rot. Bonds3

About bis(2-azanidylethylazanide);cobalt(3+);2-sulfaniumylethylazanide

bis(2-azanidylethylazanide);cobalt(3+);2-sulfaniumylethylazanide (PubChem CID 3563098) has the molecular formula C6H19CoN5S- and a molecular weight of 252.25 g/mol. Its IUPAC name is bis(2-azanidylethylazanide);cobalt(3+);2-sulfaniumylethylazanide.

Molecular Properties

Compound Namebis(2-azanidylethylazanide);cobalt(3+);2-sulfaniumylethylazanide
PubChem CID3563098
Molecular FormulaC6H19CoN5S-
Molecular Weight252.25 g/mol
Exact Mass252.07
IUPAC Namebis(2-azanidylethylazanide);cobalt(3+);2-sulfaniumylethylazanide
SMILES[Co+3].[NH-]CC[NH-].[NH-]CC[NH-].[NH-]CC[SH2+]
InChIInChI=1S/2C2H6N2.C2H6NS.Co/c3*3-1-2-4;/h3*3-4H,1-2H2;/q2*-2;-1;+3/p+1
InChIKeyJSKGOPMFSJQPDW-UHFFFAOYSA-O
XLogP2.23
TPSA119.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(2-azanidylethylazanide);cobalt(3+);2-sulfaniumylethylazanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-azanidylethylazanide);cobalt(3+);2-sulfaniumylethylazanide?
The IUPAC name of bis(2-azanidylethylazanide);cobalt(3+);2-sulfaniumylethylazanide (CID 3563098) is bis(2-azanidylethylazanide);cobalt(3+);2-sulfaniumylethylazanide.
What is the SMILES notation for bis(2-azanidylethylazanide);cobalt(3+);2-sulfaniumylethylazanide?
The canonical SMILES for bis(2-azanidylethylazanide);cobalt(3+);2-sulfaniumylethylazanide is [Co+3].[NH-]CC[NH-].[NH-]CC[NH-].[NH-]CC[SH2+].
What is the InChIKey of bis(2-azanidylethylazanide);cobalt(3+);2-sulfaniumylethylazanide?
The InChIKey is JSKGOPMFSJQPDW-UHFFFAOYSA-O. The full InChI is InChI=1S/2C2H6N2.C2H6NS.Co/c3*3-1-2-4;/h3*3-4H,1-2H2;/q2*-2;-1;+3/p+1.
What are the key properties of bis(2-azanidylethylazanide);cobalt(3+);2-sulfaniumylethylazanide?
bis(2-azanidylethylazanide);cobalt(3+);2-sulfaniumylethylazanide has a molecular weight of 252.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-azanidylethylazanide);cobalt(3+);2-sulfaniumylethylazanide is sourced from PubChem (CID 3563098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).