cobalt(2+);bis(ethane-1,2-diamine);sulfate

C4H16CoN4O4S — CID 161215849

IUPACcobalt(2+);bis(ethane-1,2-diamine);sulfate
SMILESNCCN.NCCN.O=S(=O)([O-])[O-].[Co+2]
InChIInChI=1S/2C2H8N2.Co.H2O4S/c2*3-1-2-4;;1-5(2,3)4/h2*1-4H2;;(H2,1,2,3,4)/q;;+2;/p-2
InChIKeyUWVVFJRBSCGSCQ-UHFFFAOYSA-L
MW275.20 g/mol
LogP-3.53
Rot. Bonds2

About cobalt(2+);bis(ethane-1,2-diamine);sulfate

cobalt(2+);bis(ethane-1,2-diamine);sulfate (PubChem CID 161215849) has the molecular formula C4H16CoN4O4S and a molecular weight of 275.20 g/mol. Its IUPAC name is cobalt(2+);bis(ethane-1,2-diamine);sulfate.

Molecular Properties

Compound Namecobalt(2+);bis(ethane-1,2-diamine);sulfate
PubChem CID161215849
Molecular FormulaC4H16CoN4O4S
Molecular Weight275.20 g/mol
Exact Mass275.02
IUPAC Namecobalt(2+);bis(ethane-1,2-diamine);sulfate
SMILESNCCN.NCCN.O=S(=O)([O-])[O-].[Co+2]
InChIInChI=1S/2C2H8N2.Co.H2O4S/c2*3-1-2-4;;1-5(2,3)4/h2*1-4H2;;(H2,1,2,3,4)/q;;+2;/p-2
InChIKeyUWVVFJRBSCGSCQ-UHFFFAOYSA-L
XLogP-3.53
TPSA184.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 5-3.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

copper(1+);ethane-1,2-diamine;hydrogen sulfate
CID 23344051
dialuminum;bis(hexane-1,6-diamine);trisulfate
CID 173360259
hydrazine sulfate
CID 10103185
lithium;cobalt(2+);fluoride;sulfate
CID 172743881
chromium(3+);cobalt(2+);disulfate
CID 163918913
hexadecasilver;octasulfate
CID 174664647
cobalt(2+) disulfamate
CID 26398
azane;ethane-1,2-diamine;sulfuric acid
CID 175425988
silver;tris(ethane-1,2-diamine);nitrate
CID 173442409
ethane-1,2-diamine;1-ethylsulfonylethane
CID 88712876
bis(nonan-1-amine);sulfate
CID 21153128
cerium trisulfate
CID 160867766

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(ethane-1,2-diamine);sulfate?
The IUPAC name of cobalt(2+);bis(ethane-1,2-diamine);sulfate (CID 161215849) is cobalt(2+);bis(ethane-1,2-diamine);sulfate.
What is the SMILES notation for cobalt(2+);bis(ethane-1,2-diamine);sulfate?
The canonical SMILES for cobalt(2+);bis(ethane-1,2-diamine);sulfate is NCCN.NCCN.O=S(=O)([O-])[O-].[Co+2].
What is the InChIKey of cobalt(2+);bis(ethane-1,2-diamine);sulfate?
The InChIKey is UWVVFJRBSCGSCQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H8N2.Co.H2O4S/c2*3-1-2-4;;1-5(2,3)4/h2*1-4H2;;(H2,1,2,3,4)/q;;+2;/p-2.
What are the key properties of cobalt(2+);bis(ethane-1,2-diamine);sulfate?
cobalt(2+);bis(ethane-1,2-diamine);sulfate has a molecular weight of 275.20 g/mol, XLogP of -3.53, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(ethane-1,2-diamine);sulfate is sourced from PubChem (CID 161215849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).