Basic information
- CAS
41294-03-5- Standard SMILES
CCOP(C)(=O)SCCN(C)c1cccc(Cl)c1- InChIKey
SZFMJBOKHLAJLD-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-((3-chlorophenyl)methylamino)ethyl) O-ethyl ester
- IUPAC
- 3-chloro-N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-N-methylaniline
Names & synonyms
BRN 2743008Methylphosphonothioic acid S-(2-((3-chlorophenyl)methylamino)ethyl) O-ethyl ester41294-03-5Phosphonothioic acid, methyl-, S-(2-((3-chlorophenyl)methylamino)ethyl) O-ethyl esterRefChem:370739s-{2-[(3-chlorophenyl)(methyl)amino]ethyl} o-ethyl methylphosphonothioateDTXSID50961596
Database identifiers
- CAS
41294-03-5- PubChem CID
- 218932
- DTXSID
DTXSID50961596
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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