Phosphonothioic acid, methyl-, O-ethyl S-(2-((3-methoxyphenyl)methylamino)ethyl) ester
Basic information
- CAS
41294-02-4- Standard SMILES
CCOP(C)(=O)SCCN(C)c1cccc(OC)c1- InChIKey
ZWLGQSGIGKMDNY-UHFFFAOYSA-N- Molecular formula
- C13H22NO3PS
- Average molar mass
- 303.36 g/mol
- Monoisotopic mass
- 303.10580174
Names & identifiers
- Preferred name
- Phosphonothioic acid, methyl-, O-ethyl S-(2-((3-methoxyphenyl)methylamino)ethyl) ester
- IUPAC
- N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-3-methoxy-N-methylaniline
Names & synonyms
BRN 2746716Methylphosphonothioic acid O-ethyl S-(2-((3-methoxyphenyl)methylamino)ethyl) ester41294-02-4Phosphonothioic acid, methyl-, O-ethyl S-(2-((3-methoxyphenyl)methylamino)ethyl) esterRefChem:370727o-ethyl s-{2-[(3-methoxyphenyl)(methyl)amino]ethyl} methylphosphonothioateDTXSID90961595
Database identifiers
- CAS
41294-02-4- PubChem CID
- 218931
- DTXSID
DTXSID90961595
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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