Phosphorothioic acid, O,O-dimethyl O-(3-methyl-4-nitrophenyl) ester, mixt. with O-(4-cyanophenyl) O-ethyl phenylphosphonothioate

HCID 3045451

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Basic information

CAS: 60747-25-3
Standard SMILES: CCOP(=S)(Oc1ccc(C#N)cc1)c1ccccc1.COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C)c1
InChIKey: PJRZTCSMTYJSMM-UHFFFAOYSA-N
Molecular formula: C24H26N2O7P2S2
Average molar mass: 580.6 g/mol
Monoisotopic mass: 580.06566752

Names & identifiers

Preferred name: Phosphorothioic acid, O,O-dimethyl O-(3-methyl-4-nitrophenyl) ester, mixt. with O-(4-cyanophenyl) O-ethyl phenylphosphonothioate
IUPAC: dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidene-λ5-phosphane;4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile

Names & synonyms

60747-25-3Phosphorothioic acid, O,O-dimethyl O-(3-methyl-4-nitrophenyl) ester, mixt. with O-(4-cyanophenyl) O-ethyl phenylphosphonothioateRefChem:1095487WatathionDTXSID60976217O-(4-Cyanophenyl) O-ethyl phenylphosphonothioate--O,O-dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate (1/1)

Database identifiers

CAS: 60747-25-3
PubChem CID: 3045451
DTXSID: DTXSID60976217

Properties

Computed structural properties

Topological polar surface area: 180 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 10
Rotatable bonds: 9
Heavy atoms: 37
Formal charge: 0
Complexity: 705

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