Basic information
- CAS
13286-49-2- Standard SMILES
CCOP(=S)(OCC)SCc1ccc([N+](=O)[O-])cc1- InChIKey
BTGZQLZLKSJTHK-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-p-nitrobenzyl ester
- IUPAC
- diethoxy-[(4-nitrophenyl)methylsulfanyl]-sulfanylidene-λ5-phosphane
- English name
- Dithiophosphoric acid O,O-diethyl S-(4-nitrobenzyl) ester
- Molecular formula
- C11H16NO4PS2
- Molecular weight
- 321.35
Names & synonyms
Bayer R-183713286-49-2BRN 2000948Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl esterENT 22,754AI3-22754DTXSID301578194-06-00-02802 (Beilstein Handbook Reference)Phosphorodithioic acid, O,O-diethyl S-((4-nitrophenyl)methyl) esterRefChem:371139DTXCID1080310Dithiophosphoric acid O,O-diethyl S-(4-nitrobenzyl) ester
Show more names
ENT-22754Phosphorodithioic acid, O,O-diethyl S-[(4-nitrophenyl)methyl] ester
diethoxy-[(4-nitrophenyl)methylsulfanyl]-sulfanylidene-lambda5-phosphaneO,O-Diethyl S-[(4-nitrophenyl)methyl] phosphorodithioate
Database identifiers
- CAS
13286-49-2- PubChem CID
- 83305
- DTXSID
DTXSID30157819- Nikkaji
- J96.878A
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
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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