chempirical

Fensulfothion

C11H17O4PS2CAS 115-90-2308.35 g/mol

Open in Covalent MOL file
OPSOOSO
Sulfoxide

Properties

Molecular formula
C11H17O4PS2
Molar mass
308.35 g/mol
Exact mass
308.0306 Da
Density
1.202 g/mL (at 20 °C)
Melting point
below 25 °C
Boiling point
138–141 °C (at 0.01 Torr)
logP
3.10Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
7

Identifiers

CAS number
115-90-2
SMILES
CCOP(=S)(OCC)Oc1ccc(S(C)=O)cc1
InChIKey
XDNBJTQLKCIJBV-UHFFFAOYSA-N
InChI
InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3

Weigh it out

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

Names and synonyms

18 names · show all
  • Phosphorothioic acid, O,O-diethyl O-[4-(methylsulfinyl)phenyl] ester
  • Phosphorothioic acid, O,O-diethyl O-[p-(methylsulfinyl)phenyl] ester
  • Phenol, p-(methylsulfinyl)-, O-ester with O,O-di-Et phosphorothioate
  • S 767
  • ENT 24,945
  • Chemagro 25141
  • Dasanit
  • O,O-Diethyl O-[p-(methylsulfinyl)phenyl] phosphorothioate
  • DMSP
  • BAY 25141
  • Terracur P
  • B 25141
  • Daconit
  • VUAgt 96
  • VUAgt 108
  • O,O-Diethyl O-(4-methylsulfinylphenyl) monothiophosphate
  • O,O-Diethyl O-[4-(methylsulfinyl)phenyl] phosphorothioate
  • Agricur

Work with Fensulfothion

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

Parathion56-38-253 % similar O,O-Diethyl O-(4-methyl-2-oxo-2H-1-benzopyran-7-yl) phosphorothioate299-45-645 % similar Sulfotep3689-24-542 % similar Methyl phenyl sulfoxide1193-82-441 % similar Coumaphos56-72-440 % similar Quinalphos13593-03-839 % similar Dichlofenthion97-17-639 % similar Thionazin297-97-238 % similar

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

Elsewhere

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