1-Methylethyl 3-[[(ethylamino)methoxyphosphinothioyl]oxy]-2-butenoate

HCID 35754

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Basic information

CAS: 58995-37-2
Standard SMILES: CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C
InChIKey: BZNDWPRGXNILMS-UHFFFAOYSA-N
Molecular formula: C10H20NO4PS
Average molar mass: 281.31 g/mol
Monoisotopic mass: 281.08506629

Names & identifiers

Preferred name: 1-Methylethyl 3-[[(ethylamino)methoxyphosphinothioyl]oxy]-2-butenoate
IUPAC: propan-2-yl 3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate

Names & synonyms

1-Methylethyl 3-[[(ethylamino)methoxyphosphinothioyl]oxy]-2-butenoate58995-37-2SCHEMBL6740871DTXSID30860457DB-047988DB-2620883-[Ethylamino(methoxy)phosphinothioyloxy]-2-butenoic acid isopropyl esterpropan-2-yl 3-{[(ethylamino)(methoxy)phosphorothioyl]oxy}but-2-enoate

Database identifiers

CAS: 58995-37-2
PubChem CID: 35754
DTXSID: DTXSID30860457

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 88.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 17
Formal charge: 0
Complexity: 330

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