ethyl sulfate;tetramethylphosphanium

C6H17O4PS — CID 161050866

IUPACethyl sulfate;tetramethylphosphanium
SMILESCCOS(=O)(=O)[O-].C[P+](C)(C)C
InChIInChI=1S/C4H12P.C2H6O4S/c1-5(2,3)4;1-2-6-7(3,4)5/h1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChIKeyUCCUBBMAJUBEOU-UHFFFAOYSA-M
MW216.24 g/mol
LogP1.01
Rot. Bonds2

About ethyl sulfate;tetramethylphosphanium

ethyl sulfate;tetramethylphosphanium (PubChem CID 161050866) has the molecular formula C6H17O4PS and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl sulfate;tetramethylphosphanium.

Molecular Properties

Compound Nameethyl sulfate;tetramethylphosphanium
PubChem CID161050866
Molecular FormulaC6H17O4PS
Molecular Weight216.24 g/mol
Exact Mass216.06
IUPAC Nameethyl sulfate;tetramethylphosphanium
SMILESCCOS(=O)(=O)[O-].C[P+](C)(C)C
InChIInChI=1S/C4H12P.C2H6O4S/c1-5(2,3)4;1-2-6-7(3,4)5/h1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChIKeyUCCUBBMAJUBEOU-UHFFFAOYSA-M
XLogP1.01
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 25022214
ethyl sulfate;triethyl(methyl)azanium
CID 118676380
ethyl sulfate;hexadecan-2-ylazanium
CID 18691740
ethyl sulfate;triethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 140549168
ethyl sulfate;triethyl(1-prop-2-enoyloxyethyl)azanium
CID 87985729
ethyl sulfate;2-methylprop-2-enoate;bis(trimethylazanium)
CID 139795238
lithium 2-methylpropyl sulfate
CID 158872210
[dimethylamino(methylsulfanyl)methylidene]-dimethylazanium;ethyl sulfate
CID 86645099
ethyl-[5-[ethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium;ethyl sulfate
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Frequently Asked Questions

What is the IUPAC name of ethyl sulfate;tetramethylphosphanium?
The IUPAC name of ethyl sulfate;tetramethylphosphanium (CID 161050866) is ethyl sulfate;tetramethylphosphanium.
What is the SMILES notation for ethyl sulfate;tetramethylphosphanium?
The canonical SMILES for ethyl sulfate;tetramethylphosphanium is CCOS(=O)(=O)[O-].C[P+](C)(C)C.
What is the InChIKey of ethyl sulfate;tetramethylphosphanium?
The InChIKey is UCCUBBMAJUBEOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12P.C2H6O4S/c1-5(2,3)4;1-2-6-7(3,4)5/h1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1.
What are the key properties of ethyl sulfate;tetramethylphosphanium?
ethyl sulfate;tetramethylphosphanium has a molecular weight of 216.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl sulfate;tetramethylphosphanium is sourced from PubChem (CID 161050866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).