Ammonium, (2-mercaptoethyl)dimethylphenyl-, ethyl sulfate, S-ester with O,O-diethyl phosphorothioate
Basic information
- CAS
4532-85-8- Standard SMILES
CCOP(=O)(OCC)SCC[N+](C)(C)c1ccccc1.COS(=O)(=O)[O-]- InChIKey
FTGGMOGGNHQENR-UHFFFAOYSA-M- Molecular formula
- C15H28NO7PS2
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.10448158
Names & identifiers
- Preferred name
- Ammonium, (2-mercaptoethyl)dimethylphenyl-, ethyl sulfate, S-ester with O,O-diethyl phosphorothioate
- IUPAC
- 2-diethoxyphosphorylsulfanylethyl-dimethyl-phenylazanium;methyl sulfate
Names & synonyms
GT 45GT-45Ammonium, (2-mercaptoethyl)dimethylphenyl-, ethyl sulfate, S-ester with O,O-diethyl phosphorothioateDTXSID40196476O,O-Diethyl-S-(2-(N-methyl-N-phenylamino)ethyl)thiophosphonate methylsulfomethylateBenzenaminium, N-(2-((diethoxyphosphinyl)thio)ethyl)-N,N-dimethyl-, methyl sulfateRefChem:318818DTXCID50118967Benzenaminium, N-(2-((diethoxyphosphinyl)thio)ethyl)-N,N-dimethyl-, methyl sulfate (9CI)4532-85-8n-{2-[(diethoxyphosphoryl)sulfanyl]ethyl}-n,n-dimethylanilinium methyl sulfateSCHEMBL29827226
Database identifiers
- CAS
4532-85-8- PubChem CID
- 78291
- DTXSID
DTXSID40196476
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 400
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Compound notes
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