1-Propanaminium, 3-(dimethylsulfonio)-N,N,N-trimethyl-
Basic information
- CAS
61672-51-3- Standard SMILES
C[S+](C)CCC[N+](C)(C)C- InChIKey
ZUCRBICXHIIFKM-UHFFFAOYSA-N- Molecular formula
- C8H21NS+2
- Average molar mass
- 163.33 g/mol
- Monoisotopic mass
- 163.13947085
Names & identifiers
- Preferred name
- 1-Propanaminium, 3-(dimethylsulfonio)-N,N,N-trimethyl-
- IUPAC
- 3-dimethylsulfoniopropyl(trimethyl)azanium
- English name
- 3-(Dimethylsulfonio)-N,N,N-trimethylpropanaminium(2+)
- Molecular formula
- C8H21NS
- Molecular weight
- 163.33
Names & synonyms
61672-51-31-Propanaminium, 3-(dimethylsulfonio)-N,N,N-trimethyl-3-dimethylsulfoniopropyl(trimethyl)azanium3-(Dimethylsulfonio)-N,N,N-trimethylpropanaminium(2+)Dimethyl(3-(trimethylammonio)propyl)sulfoniumA73F49AW3LDTXSID00274901[3-(Dimethylsulfonio)propyl]trimethylammoniumDimethyl[3-(trimethylazaniumyl)propyl]sulfanium3-(Dimethylsulfonio)-N,N,N-trimethyl-1-propanaminium1-dimethylsulfonio-3-trimethylammonio-propane
Database identifiers
- CAS
61672-51-3- PubChem CID
- 30930
- DTXSID
DTXSID00274901- UNII
- A73F49AW3L
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 2
- Complexity
- 83.7
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Compound notes
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