Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester
Basic information
- CAS
13286-40-3- Standard SMILES
CCOP(=S)(OCC)SCc1cccc([N+](=O)[O-])c1- InChIKey
MIFPMXSEMTYMRE-UHFFFAOYSA-N- Molecular formula
- C11H16NO4PS2
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.02583734
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl ester
- IUPAC
- diethoxy-[(3-nitrophenyl)methylsulfanyl]-sulfanylidene-λ5-phosphane
- English name
- Dithiophosphoric acid O,O-diethyl S-(3-nitrobenzyl) ester
- Molecular formula
- C11H16NO4PS2
- Molecular weight
- 321.35
Names & synonyms
Bayer R-183513286-40-3ENT 22,752Phosphorodithioic acid, O,O-diethyl S-m-nitrobenzyl esterDTXSID70157818RefChem:371138DTXCID2080309Dithiophosphoric acid O,O-diethyl S-(3-nitrobenzyl) esterdiethoxy-[(3-nitrophenyl)methylsulfanyl]-sulfanylidene-lambda5-phosphaneO,O-Diethyl S-[(3-nitrophenyl)methyl] phosphorodithioateENT-22752Phosphorodithioic acid, O,O-diethyl S-(m-nitrobenzyl) ester (7CI,8CI)
Database identifiers
- CAS
13286-40-3- PubChem CID
- 83304
- DTXSID
DTXSID70157818- Nikkaji
- J96.877C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 327
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Related reactions
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Compound notes
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