Ammonium, (2-mercaptoethyl)trimethyl-, S-ester with O-ethylmethylphosphonothioate
Basic information
- CAS
56217-67-5- Standard SMILES
CCOP(C)(=O)SCC[N+](C)(C)C- InChIKey
MGISCEYZGHROKJ-UHFFFAOYSA-N- Molecular formula
- C8H21NO2PS+
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.10306208
Names & identifiers
- Preferred name
- Ammonium, (2-mercaptoethyl)trimethyl-, S-ester with O-ethylmethylphosphonothioate
- IUPAC
- 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-trimethylazanium
Names & synonyms
(2-Mercaptoethyl)trimethylammonium S-ester with O-ethylmethylphosphonothioate56217-67-5Ammonium, (2-mercaptoethyl)trimethyl-, S-ester with O-ethylmethylphosphonothioateRefChem:318820DTXSID309716182-{[Ethoxy(methyl)phosphoryl]sulfanyl}-N,N,N-trimethylethan-1-aminium
Database identifiers
- CAS
56217-67-5- PubChem CID
- 17200
- DTXSID
DTXSID30971618
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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