Ethyl sulfate anion

HCID 3804841

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 48028-76-8
Standard SMILES: CCOS(=O)(=O)[O-]
InChIKey: KIWBPDUYBMNFTB-UHFFFAOYSA-M
Molecular formula: C2H5O4S-
Average molar mass: 125.13 g/mol
Monoisotopic mass: 124.99085481

Names & identifiers

Preferred name: Ethyl sulfate anion
IUPAC: ethyl sulfate

Names & synonyms

Ethyl sulfate anionDTXSID404372948028-76-8RefChem:1085102DTXCID2023729Ethyl sulphateethylsulfateethylsulphate

Database identifiers

CAS: 48028-76-8
PubChem CID: 3804841
DTXSID: DTXSID4043729
Nikkaji: J209.398G

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 74.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: -1
Complexity: 104

Experimental & physicochemical properties

Chemical ClassesIndustrial compound

Related reactions

12 records

New reaction record

HRID 127398 reaction equation

HRID 127398As reactantuspto-grants-1981_03

HRID 285966 reaction equation

HRID 285966As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 635266 reaction equation

HRID 635266As reactantuspto-grants-2001_02

HRID 899029 reaction equation

HRID 899029As reactantuspto-grants-2008_04

HRID 918216 reaction equation

HRID 918216As reactantuspto-grants-1976_07

HRID 1157077 reaction equation

HRID 1157077As reactantuspto-grants-2010_10

HRID 1413139 reaction equation

HRID 1413139As reactantuspto-grants-1981_02

HRID 1659988 reaction equation

HRID 1659988As reactantuspto-grants-1981_12

Compound notes

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