Basic information
- CAS
24020-66-4- Standard SMILES
O=S(=O)([O-])CC[n+]1ccccc1- InChIKey
WXNLLEDALLWEDJ-UHFFFAOYSA-N- Molecular formula
- C7H9NO3S
- Average molar mass
- 187.22 g/mol
- Monoisotopic mass
- 187.03031432
Names & identifiers
- Preferred name
- 1-(2-Sulphonatoethyl)pyridinium
- IUPAC
- 2-pyridin-1-ium-1-ylethanesulfonate
- English name
- 1-(2-sulphonatoethyl)pyridinium
- Molecular formula
- C7H9NO3S
- Molecular weight
- 187.21626
Names & synonyms
1-(2-Sulphonatoethyl)pyridinium24020-66-4EINECS 245-989-12-pyridin-1-ium-1-ylethanesulfonateSCHEMBL2579375DTXSID40178757WXNLLEDALLWEDJ-UHFFFAOYSA-N2-(Pyridin-1-ium-1-yl)ethane-1-sulfonateNS00051390Pyridinebetaine B1-(2-Sulfonatoethyl)pyridinium
Database identifiers
- CAS
24020-66-4- PubChem CID
- 90342
- DTXSID
DTXSID40178757- EC Number
- 245-989-1
- Nikkaji
- J278.689C
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 260 °C · 260 °C
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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