chempirical

Vamidothion

C8H18NO4PS2CAS 2275-23-2287.33 g/mol

Open in Covalent MOL file
NHOSSPOOO
Sulfide

Properties

Molecular formula
C8H18NO4PS2
Molar mass
287.33 g/mol
Exact mass
287.0415 Da
Melting point
46–48 °C
logP
2.83Crippen estimate
Polar surface area
68.1 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
8

Identifiers

CAS number
2275-23-2
SMILES
CN=C(O)C(C)SCCSP(=O)(OC)OC
InChIKey
LESVOLZBIFDZGS-UHFFFAOYSA-N
InChI
InChI=1S/C8H18NO4PS2/c1-7(8(10)9-2)15-5-6-16-14(11,12-3)13-4/h7H,5-6H2,1-4H3,(H,9,10)

Weigh it out

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

Names and synonyms

8 names
  • Phosphorothioic acid, O,O-dimethyl S-[2-[[1-methyl-2-(methylamino)-2-oxoethyl]thio]ethyl] ester
  • Phosphorothioic acid, O,O-dimethyl ester, S-ester with 2-[(2-mercaptoethyl)thio]-N-methylpropionamide
  • RP 9895
  • O,O-Dimethyl S-[2-(1-methylcarbamoylethylthio)ethyl] phosphorothioate
  • Dimethyl S-[2-(1-methylcarbamoylethylthio)ethyl] phosphorothiolate
  • Kilval
  • Vamidoate
  • Bamidothion

Work with Vamidothion

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

Omethoate1113-02-650 % similar Dimethoate60-51-533 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook