Methylisopropoxyphosphorylthiocholine iodide
Basic information
- CAS
1866-98-4- Standard SMILES
CC(C)OP(C)(=O)SCC[N+](C)(C)C.[I-]- InChIKey
SWRKBUGJWNPDJT-UHFFFAOYSA-M- Molecular formula
- C9H23INO2PS
- Average molar mass
- 367.23 g/mol
- Monoisotopic mass
- 367.02318
Names & identifiers
- Preferred name
- Methylisopropoxyphosphorylthiocholine iodide
- IUPAC
- trimethyl-[2-[methyl(propan-2-yloxy)phosphoryl]sulfanylethyl]azanium iodide
Names & synonyms
Methylisopropoxyphosphorylthiocholine iodideRefChem:10896931866-98-4S 40DTXSID00940119SWRKBUGJWNPDJT-UHFFFAOYSA-MAmmonium, (2-mercaptoethyl)trimethyl-, iodide, S-ester with O-isopropyl methylphosphonothioateN,N,N-Trimethyl-2-({methyl[(propan-2-yl)oxy]phosphoryl}sulfanyl)ethan-1-aminium iodide
Database identifiers
- CAS
1866-98-4- PubChem CID
- 15839
- DTXSID
DTXSID00940119
Properties
Computed structural properties
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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