cadmium(2+);ethyl sulfate

C4H10CdO8S2 — CID 57361489

IUPACcadmium(2+);ethyl sulfate
SMILESCCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[Cd+2]
InChIInChI=1S/2C2H6O4S.Cd/c2*1-2-6-7(3,4)5;/h2*2H2,1H3,(H,3,4,5);/q;;+2/p-2
InChIKeyWNBJBTPPHNVAKT-UHFFFAOYSA-L
MW362.66 g/mol
LogP-1.04
Rot. Bonds4

About cadmium(2+);ethyl sulfate

cadmium(2+);ethyl sulfate (PubChem CID 57361489) has the molecular formula C4H10CdO8S2 and a molecular weight of 362.66 g/mol. Its IUPAC name is cadmium(2+);ethyl sulfate.

Molecular Properties

Compound Namecadmium(2+);ethyl sulfate
PubChem CID57361489
Molecular FormulaC4H10CdO8S2
Molecular Weight362.66 g/mol
Exact Mass363.89
IUPAC Namecadmium(2+);ethyl sulfate
SMILESCCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[Cd+2]
InChIInChI=1S/2C2H6O4S.Cd/c2*1-2-6-7(3,4)5;/h2*2H2,1H3,(H,3,4,5);/q;;+2/p-2
InChIKeyWNBJBTPPHNVAKT-UHFFFAOYSA-L
XLogP-1.04
TPSA132.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
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

ethyl sulfate;yttrium(3+)
CID 57361497
dysprosium(3+);ethyl sulfate
CID 57346753
ethyl sulfate;thulium(3+)
CID 25022214
ethyl sulfate;tetramethylphosphanium
CID 161050866
ethyl sulfate;triethyl(methyl)azanium
CID 118676380
ethyl-[5-[ethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium;ethyl sulfate
CID 89422341
ethyl(prop-2-enyl)azanium;ethyl sulfate
CID 20536834
ethyl sulfate;2-methylprop-2-enoate;bis(trimethylazanium)
CID 139795238
ethyl-methyl-bis(prop-2-enyl)azanium;ethyl sulfate;sulfane
CID 175702679
ethyl sulfate;morpholin-4-ylazanium
CID 141307930
ethyl sulfate;triethyl(octadecyl)azanium
CID 22993117
ethyl sulfate;hexadecan-2-ylazanium
CID 18691740

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);ethyl sulfate?
The IUPAC name of cadmium(2+);ethyl sulfate (CID 57361489) is cadmium(2+);ethyl sulfate.
What is the SMILES notation for cadmium(2+);ethyl sulfate?
The canonical SMILES for cadmium(2+);ethyl sulfate is CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[Cd+2].
What is the InChIKey of cadmium(2+);ethyl sulfate?
The InChIKey is WNBJBTPPHNVAKT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H6O4S.Cd/c2*1-2-6-7(3,4)5;/h2*2H2,1H3,(H,3,4,5);/q;;+2/p-2.
What are the key properties of cadmium(2+);ethyl sulfate?
cadmium(2+);ethyl sulfate has a molecular weight of 362.66 g/mol, XLogP of -1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);ethyl sulfate is sourced from PubChem (CID 57361489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).