Basic information
- CAS
18313-91-2- Standard SMILES
CCOP(=S)(CC)Oc1cccc([N+](=O)[O-])c1C- InChIKey
QUJSLFBJDWGGJL-UHFFFAOYSA-N- Molecular formula
- C11H16NO4PS
- Average molar mass
- 289.29 g/mol
- Monoisotopic mass
- 289.05376616
Names & identifiers
- Preferred name
- O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate
- IUPAC
- ethoxy-ethyl-(2-methyl-3-nitrophenoxy)-sulfanylidene-λ5-phosphane
- English name
- Ethylphosphonothioic acid O-ethyl O-(3-methyl-4-nitrophenyl) ester
- Molecular weight
- 0
Names & synonyms
18313-91-2o-ethyl o-(2-methyl-3-nitrophenyl) ethylphosphonothioateDTXSID80939682RefChem:1093651DTXCID801368172Phosphonothioic acid, ethyl-, O-ethyl O-(3-methyl-4-nitrophenyl) esterBAY 45556Bayer 45556ENT 25,826BRN 2058685AI3-25826O-Ethyl O-(3-methyl-4-nitrophenyl)ethylphosphonothioate
Show more names
BAY-45556Ethylphosphonothioic acid O-ethyl O-(3-methyl-4-nitrophenyl) ester
Phosphonothioic acid, ethyl-, O-ethyl O-(4-nitro-m-tolyl) esterethoxy-ethyl-(2-methyl-3-nitrophenoxy)-sulfanylidene-lambda5-phosphane
Database identifiers
- CAS
18313-91-2- PubChem CID
- 87580
- DTXSID
DTXSID80939682
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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