Basic information
- CAS
6142-30-9- Standard SMILES
O=S(=O)([O-])OCC[n+]1ccccc1- InChIKey
VUOQDVJCGIRTJN-UHFFFAOYSA-N- Molecular formula
- C7H9NO4S
- Average molar mass
- 203.22 g/mol
- Monoisotopic mass
- 203.02522894
Overview
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Names & identifiers
- Preferred name
- 1-(2-(Sulphonatooxy)ethyl)pyridinium
- IUPAC
- 2-pyridin-1-ium-1-ylethyl sulfate
- English name
- 1-[2-(sulphonatooxy)ethyl]pyridinium
- Molecular formula
- C7H9NO4S
- Molecular weight
- 203.21566
Names & synonyms
6142-30-91-(2-(Sulphonatooxy)ethyl)pyridiniumEINECS 228-136-8SCHEMBL3629068DTXSID50210359VUOQDVJCGIRTJN-UHFFFAOYSA-N2-(Pyridin-1-ium-1-yl)ethyl sulfateNS000447841-[2-(Sulfonatooxy)ethyl]pyridinium1-[2-(sulphonatooxy)ethyl]pyridinium
Database identifiers
- CAS
6142-30-9- PubChem CID
- 80241
- DTXSID
DTXSID50210359- EC Number
- 228-136-8
- Nikkaji
- J227.324A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 203 °C · 203 °C
Chemistry & industry
Suppliers2 total
APOLLO-NMR[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
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Compound notes
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