Phosphonothioic acid, methyl-, S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester

HCID 218935

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Basic information

CAS: 41294-06-8
Standard SMILES: CCOP(C)(=O)SCCN(C)c1ccc(Cl)cc1
InChIKey: FJTBNYZUCHWAGC-UHFFFAOYSA-N
Molecular formula: C12H19ClNO2PS
Average molar mass: 307.78 g/mol
Monoisotopic mass: 307.0562647

Names & identifiers

Preferred name: Phosphonothioic acid, methyl-, S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester
IUPAC: 4-chloro-N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-N-methylaniline

Names & synonyms

BRN 2134299Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester41294-06-8Phosphonothioic acid, methyl-, S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl esterRefChem:370740s-{2-[(4-chlorophenyl)(methyl)amino]ethyl} o-ethyl methylphosphonothioateDTXSID30961599

Database identifiers

CAS: 41294-06-8
PubChem CID: 218935
DTXSID: DTXSID30961599

Properties

Computed structural properties

XLogP: 2.7
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: 285

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