sodium ethyl sulfate

C2H5NaO4S — CID 23680278

IUPACsodium ethyl sulfate
SMILESCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C2H6O4S.Na/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1
InChIKeyRRLOOYQHUHGIRJ-UHFFFAOYSA-M
MW148.11 g/mol
LogP-3.51
Rot. Bonds2

About sodium ethyl sulfate

sodium ethyl sulfate (PubChem CID 23680278) has the molecular formula C2H5NaO4S and a molecular weight of 148.11 g/mol. Its IUPAC name is sodium ethyl sulfate.

Molecular Properties

Compound Namesodium ethyl sulfate
PubChem CID23680278
Molecular FormulaC2H5NaO4S
Molecular Weight148.11 g/mol
Exact Mass147.98
IUPAC Namesodium ethyl sulfate
SMILESCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C2H6O4S.Na/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1
InChIKeyRRLOOYQHUHGIRJ-UHFFFAOYSA-M
XLogP-3.51
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 5-3.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Sulfuric acid, monoethyl ester, potassium salt (1:1)
CID 23680282
Sulfuric acid, ethyl methyl ester
CID 69945
Ethyl sulfate anion
CID 3804841
Sulfuric acid, monopropyl ester, sodium salt (1:1)
CID 23677965
Sodium;1,1,2,2,2-pentadeuterioethyl sulfate
CID 46782931
Ethyl sulfate;hydron
CID 57448826
Ethyl fluosulfate
CID 88599587
Sodium isopropyl sulfate
CID 23669914
Sodium ethylsulphite
CID 23687551
Aethylschwefelsaures Silber
CID 89926795
Sodium ethyl sulfate monohydrate
CID 25022159
athylunterschwefligsaurem Natrium
CID 129642487

Frequently Asked Questions

What is the IUPAC name of sodium ethyl sulfate?
The IUPAC name of sodium ethyl sulfate (CID 23680278) is sodium ethyl sulfate.
What is the SMILES notation for sodium ethyl sulfate?
The canonical SMILES for sodium ethyl sulfate is CCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium ethyl sulfate?
The InChIKey is RRLOOYQHUHGIRJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O4S.Na/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1.
What are the key properties of sodium ethyl sulfate?
sodium ethyl sulfate has a molecular weight of 148.11 g/mol, XLogP of -3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium ethyl sulfate is sourced from PubChem (CID 23680278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).