chempirical

Fenitrothion

C9H12NO5PSCAS 122-14-5277.23 g/mol

Open in Covalent MOL file
OPSOON+OO−
Nitro

Properties

Molecular formula
C9H12NO5PS
Molar mass
277.23 g/mol
Exact mass
277.0174 Da
Density
1.3227 g/mL (at 25 °C)
Melting point
3.4 °C
Boiling point
118 °C (at 0.05 Torr)
logP
2.80Crippen estimate
Polar surface area
70.8 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
5

Identifiers

CAS number
122-14-5
SMILES
COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C)c1
InChIKey
ZNOLGFHPUIJIMJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

65 names · show all
  • Phosphorothioic acid, O,O-dimethyl O-(3-methyl-4-nitrophenyl) ester
  • Phosphorothioic acid, O,O-dimethyl O-(4-nitro-m-tolyl) ester
  • OMS 43
  • S 112A
  • S 5660
  • 8057HC
  • ENT 25,715
  • Bayer 41831
  • CP 47114
  • O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate
  • O,O-Dimethyl O-4-nitro-m-tolyl phosphorothioate
  • Metathion
  • Metathione
  • Metathionine E 50
  • Nitrophos
  • BAY 41831
  • CL 47300
  • Folithion
  • Metathion E 50
  • Monsanto CP 47114
  • Sumithion
  • EI 47300
  • Accothion
  • Phenitrothion
  • Folithion EC 50
  • Metation E 50
  • Agrothion
  • Ovadofos
  • O,O-Dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate
  • O,O-Dimethyl O-(4-nitro-3-methylphenyl)thiophosphate
  • MEP
  • O,O-Dimethyl O-4-nitro-m-tolyl thiophosphate
  • Bayer S 5660
  • Verthion
  • Agriya 1050
  • Oleosumifene
  • Metation
  • Agria 1050
  • O,O-DiMe O-(3-methyl-4-nitrophenyl) thiophosphate
  • Nuvanol
  • MEP (pesticide)
  • Arbogal
  • Methylnitrophos
  • Dimethyl 4-nitro-m-tolyl phosphorothionate
  • Mglawik F
  • Owadofos
  • Fenition
  • Oleometathion
  • Methadion
  • Insectigas F
  • Sumithion 20F
  • Sumifene
  • Owadophos
  • Super sumithion
  • Sumithion 20MC
  • Sumi oil
  • Sumithion 50EC
  • Tionfos 50 LE
  • Sumigran
  • Sumithion super 1000EC
  • Sumithion super
  • Paluthion
  • ShaMingSong
  • Smichion 10FL
  • Sumithion 10FL

Work with Fenitrothion

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Parathion methyl298-00-063 % similar 3-Methyl-4-nitroanisole5367-32-862 % similar Fenthion55-38-953 % similar 4-Methoxy-1-methyl-2-nitrobenzene17484-36-551 % similar 4-Nitro-M-xylene89-87-249 % similar Dicapthon2463-84-548 % similar 3-Methyl-4-nitrophenol2581-34-247 % similar 4-Fluoro-2-methyl-1-nitrobenzene446-33-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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