Phosphonothioic acid, methyl-, O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester

HCID 218933

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Basic information

CAS: 41294-04-6
Standard SMILES: CCOP(C)(=O)SCCN(C)c1ccc(C)cc1
InChIKey: QQBJQSFKEUGSEA-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(4-methylphenyl)amino)ethyl) ester
IUPAC: N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-N,4-dimethylaniline

Names & synonyms

BRN 2127423Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester41294-04-6Phosphonothioic acid, methyl-, O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) esterRefChem:370730o-ethyl s-{2-[methyl(4-methylphenyl)amino]ethyl} methylphosphonothioateDTXSID10961597

Database identifiers

CAS: 41294-04-6
PubChem CID: 218933
DTXSID: DTXSID10961597

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 54.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 280

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