Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester

HCID 40557

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Basic information

CAS: 52868-53-8
Standard SMILES: CCOC(=O)C(=O)NP(=O)(OC)SC
InChIKey: KNGMWKJQTSWAIS-UHFFFAOYSA-N
Molecular formula: C6H12NO5PS
Average molar mass: 241.2 g/mol
Monoisotopic mass: 241.01738065

Names & identifiers

Preferred name: Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester
IUPAC: ethyl 2-[[methoxy(methylsulfanyl)phosphoryl]amino]-2-oxoacetate

Names & synonyms

OxalylmethamidophosBRN 2109501AI3-29272ACETIC ACID, ((METHOXY(METHYLTHIO)PHOSPHINYL)AMINO)OXO-, ETHYL ESTER52868-53-8RefChem:316083DTXSID60967327Ethyl {[methoxy(methylsulfanyl)phosphoryl]amino}(oxo)acetate

Database identifiers

CAS: 52868-53-8
PubChem CID: 40557
DTXSID: DTXSID60967327

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 107 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 14
Formal charge: 0
Complexity: 269

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