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O,O-Diethyl Dithiophosphate-[13C4] Ammonium Salt

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General Information
Catalog: BLP-003610
CAS: 1329641-22-6
Molecular Formula: [13C]4H14NO2PS2
Molecular Weight: 207.23

Chemical Structure

Description	O,O-Diethyl Dithiophosphate-[13C4] Ammonium Salt, is the labelled analogue of O,O-Diethyl Dithiophosphate. It is used in the synthesis of novel phosphorothioates and phosphorodithioates as cholinesterase inhibitors.
Synonyms	O,O-Diethyl Dithiophosphate-13C4 Ammonium Salt; ammonium O,O-bis[(13C2)ethyl] phosphorodithioate
IUPAC Name	azanium;di((1,2-13C2)ethoxy)-sulfanylidene-sulfido-λ5-phosphane
Related CAS	1068-22-0 (unlabelled)
Isomeric SMILES	[13CH3][13CH2]OP(=S)(O[13CH2][13CH3])[S-].[NH4+]
Canonical SMILES	CCOP(=S)(OCC)[S-].[NH4+]
InChI	InChI=1S/C4H11O2PS2.H3N/c1-3-5-7(8,9)6-4-2;/h3-4H2,1-2H3,(H,8,9);1H3/i1+1,2+1,3+1,4+1;
InChI Key	HFRHTRKMBOQLLL-UJNKEPEOSA-N
Melting Point	150-155°C
Purity	95% by CP; 98% atom 13C
Solubility	Soluble in DMSO, Methanol
Appearance	Off-white Solid
Storage	Store at-20°C, Under inert atmosphere