Basic information
- CAS
41294-01-3- Standard SMILES
CCOP(C)(=O)SCCN(C)c1cccc(C)c1- InChIKey
GXEGHECVIQDKOK-UHFFFAOYSA-N- Molecular formula
- C13H22NO2PS
- Average molar mass
- 287.36 g/mol
- Monoisotopic mass
- 287.11088712
Names & identifiers
- Preferred name
- Phosphonothioic acid, methyl-, O-ethyl S-(2-(methyl(3-methylphenyl)amino)ethyl) ester
- IUPAC
- N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-N,3-dimethylaniline
Names & synonyms
BRN 2738554Methylphosphonothioic acid O-ethyl S-(2-(methyl(3-methylphenyl)amino)ethyl) ester41294-01-3Phosphonothioic acid, methyl-, O-ethyl S-(2-(methyl(3-methylphenyl)amino)ethyl) esterRefChem:370729o-ethyl s-{2-[methyl(3-methylphenyl)amino]ethyl} methylphosphonothioateDTXSID30961594
Database identifiers
- CAS
41294-01-3- PubChem CID
- 218930
- DTXSID
DTXSID30961594
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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