Basic information
- CAS
21228-90-0- Standard SMILES
COS(=O)(=O)[O-]- InChIKey
JZMJDSHXVKJFKW-UHFFFAOYSA-M- Molecular formula
- CH3O4S-
- Average molar mass
- 111.1 g/mol
- Monoisotopic mass
- 110.97575316
Overview
Methyl sulfate(1-) is an organosulfate oxoanion that is the conjugate base of methyl sulfate; major species at pH 7.3. It is a conjugate base of a methyl sulfate.
Names & identifiers
- Preferred name
- Methyl sulfate(1-)
- IUPAC
- methyl sulfate
- English name
- [(Sulfuric acid methyl)ion]
- Molecular formula
- CH3O4S-
- Molecular weight
- 111.09712
Names & synonyms
methyl sulfate(1-)methyl sulfate anion21228-90-0CHEBI:58261RefChem:356864methylsulfatemethyl sulphatemethylsulphatemethyl-sulfatemonomethylsulfateMeSO4CH3SO4
Show more names
(Sulfuric acid methyl)ion[(Sulfuric acid methyl)ion](Sulfuric acid methyl)anion
NS00114768Q27125654
Database identifiers
- CAS
21228-90-0- PubChem CID
- 4694097
- DTXSID
DTXSID3043732- ChEBI
CHEBI:58261- Nikkaji
- J215.721G、J238.049H
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- -1
- Complexity
- 90.7
Physicochemical properties
- Melting point
- 110 · 110-111 °C
Safety & regulation
Hazard information
Regulatory InformationChemical: Sulfuric acid, monomethyl ester, ion(1-)
Other Safety InformationIMAP assessments - Sulfuric acid, monomethyl ester, ion(1-): Environment tier I assessment
Chemistry & industry
Additional notes
DefinitionChEBI: An organosulfate oxoanion that is the conjugate base of methyl sulfate; major species at pH 7.3.
Related reactions
106 records
Compound notes
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