cadmium(2+);ethanethioamide;diacetate

C6H11CdNO4S — CID 174647829

IUPACcadmium(2+);ethanethioamide;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(N)=S.[Cd+2]
InChIInChI=1S/C2H5NS.2C2H4O2.Cd/c3*1-2(3)4;/h1H3,(H2,3,4);2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyHHJPROXLSADXEC-UHFFFAOYSA-L
MW305.64 g/mol
LogP-2.20
Rot. Bonds

About cadmium(2+);ethanethioamide;diacetate

cadmium(2+);ethanethioamide;diacetate (PubChem CID 174647829) has the molecular formula C6H11CdNO4S and a molecular weight of 305.64 g/mol. Its IUPAC name is cadmium(2+);ethanethioamide;diacetate.

Molecular Properties

Compound Namecadmium(2+);ethanethioamide;diacetate
PubChem CID174647829
Molecular FormulaC6H11CdNO4S
Molecular Weight305.64 g/mol
Exact Mass306.94
IUPAC Namecadmium(2+);ethanethioamide;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(N)=S.[Cd+2]
InChIInChI=1S/C2H5NS.2C2H4O2.Cd/c3*1-2(3)4;/h1H3,(H2,3,4);2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyHHJPROXLSADXEC-UHFFFAOYSA-L
XLogP-2.20
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.64
LogP ≤ 5-2.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetamide;ethanethioamide
CID 159993772
azanium;urea;acetate
CID 87930546
bis(cadmium(2+));acetate;bromide
CID 172734045
cadmium(2+);acetate;chloride
CID 160756962
amino(diaminomethylidene)azanium acetate
CID 23463354
disodium;guanidine;diacetate
CID 172858856
CID 170997571
CID 170997571
tricalcium diacetate
CID 19804487
germanium(4+) tetraacetate
CID 158263361
dicopper diacetate
CID 158276690
zirconium acetate
CID 18596
uranium hexaacetate
CID 20541057

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);ethanethioamide;diacetate?
The IUPAC name of cadmium(2+);ethanethioamide;diacetate (CID 174647829) is cadmium(2+);ethanethioamide;diacetate.
What is the SMILES notation for cadmium(2+);ethanethioamide;diacetate?
The canonical SMILES for cadmium(2+);ethanethioamide;diacetate is CC(=O)[O-].CC(=O)[O-].CC(N)=S.[Cd+2].
What is the InChIKey of cadmium(2+);ethanethioamide;diacetate?
The InChIKey is HHJPROXLSADXEC-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H5NS.2C2H4O2.Cd/c3*1-2(3)4;/h1H3,(H2,3,4);2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of cadmium(2+);ethanethioamide;diacetate?
cadmium(2+);ethanethioamide;diacetate has a molecular weight of 305.64 g/mol, XLogP of -2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);ethanethioamide;diacetate is sourced from PubChem (CID 174647829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).