N,N-dimethyl-2-(1-oxidopyridin-1-ium-4-yl)sulfanylethanamine
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Basic information
- CAS
22929-87-9- Standard SMILES
CN(C)CCSc1cc[n+]([O-])cc1- InChIKey
YWAGERYHHMBPCE-UHFFFAOYSA-N- Molecular formula
- C9H14N2OS
- Average molar mass
- 198.29 g/mol
Names & identifiers
- Preferred name
- N,N-dimethyl-2-(1-oxidopyridin-1-ium-4-yl)sulfanylethanamine
- IUPAC
- N,N-dimethyl-2-(1-oxidopyridin-1-ium-4-yl)sulfanylethanamine
- English name
- Pyridine, 4-[[2-(dimethylamino)ethyl]thio]-, 1-oxide (8CI)
- Molecular formula
- C9H14N2OS
- Molecular weight
- 198.28526
Names & synonyms
Pyridine, 4-[[2-(dimethylamino)ethyl]thio]-, 1-oxide (8CI)
Database identifiers
- CAS
22929-87-9
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 136
Related reactions
0 records
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Compound notes
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