Basic information
- CAS
56217-69-7- Standard SMILES
CC(C)OP(C)(=O)SCC[N+](C)(C)C- InChIKey
ICVORHBSXMYVGD-UHFFFAOYSA-N- Molecular formula
- C9H23NO2PS+
- Average molar mass
- 240.33 g/mol
- Monoisotopic mass
- 240.11871215
Overview
inhibitor of acetylcholinesterase; structure
Names & identifiers
- Preferred name
- isopropyl S-2-trimethylammoniumethylmethylphosphonothioate
- IUPAC
- trimethyl-[2-[methyl(propan-2-yloxy)phosphoryl]sulfanylethyl]azanium
Names & synonyms
56217-69-7Ethanaminium, N,N,N-trimethyl-2-((methyl(1-methylethoxy)phosphinyl)thio)-Isopropyl S-2-trimethylammoniumethylmethylphosphonothioateRefChem:149838trimethyl-[2-[methyl(propan-2-yloxy)phosphoryl]sulfanylethyl]azaniumDTXSID90971619N,N,N-Trimethyl-2-({methyl[(propan-2-yl)oxy]phosphoryl}sulfanyl)ethan-1-aminium
Database identifiers
- CAS
56217-69-7- PubChem CID
- 15840
- DTXSID
DTXSID90971619- Nikkaji
- J764.162A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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