Phosphorothioic acid, O,O-diethyl O-(p-nitrophenyl) ester mixed with phosphorothioic acid, O,O-dimethyl O-(p-nitrophenyl) ester

HCID 82273

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Basic information

CAS: 8003-98-3
Standard SMILES: CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1.COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1
InChIKey: IMUWOGWSYBMRIQ-UHFFFAOYSA-N
Molecular formula: C18H24N2O10P2S2
Average molar mass: 554.5 g/mol
Monoisotopic mass: 554.03476131

Names & identifiers

Preferred name: Phosphorothioic acid, O,O-diethyl O-(p-nitrophenyl) ester mixed with phosphorothioic acid, O,O-dimethyl O-(p-nitrophenyl) ester
IUPAC: diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane

Names & synonyms

8003-98-3DTXSID60230023RefChem:371299DTXCID60152514SCHEMBL2918993O,O-Diethyl O-(4-nitrophenyl) phosphorothioate--O,O-dimethyl O-(4-nitrophenyl) phosphorothioate (1/1)

Database identifiers

CAS: 8003-98-3
PubChem CID: 82273
DTXSID: DTXSID60230023

Properties

Computed structural properties

Topological polar surface area: 211 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 12
Rotatable bonds: 10
Heavy atoms: 34
Formal charge: 0
Complexity: 583

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