chempirical

Phorate

C7H17O2PS3CAS 298-02-2260.36 g/mol

Open in Covalent MOL file
OPSOSS
Sulfide

Properties

Molecular formula
C7H17O2PS3
Molar mass
260.36 g/mol
Exact mass
260.0128 Da
Density
1.156 g/mL (at 25 °C)
Melting point
below −15 °C
Boiling point
125–127 °C (at 2 Torr)
logP
3.73Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
8

Identifiers

CAS number
298-02-2
SMILES
CCOP(=S)(OCC)SCSCC
InChIKey
BULVZWIRKLYCBC-UHFFFAOYSA-N
InChI
InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3

Weigh it out

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

Names and synonyms

17 names · show all
  • Phosphorodithioic acid, O,O-diethyl S-[(ethylthio)methyl] ester
  • L 11/6
  • ENT 24,042
  • American cyanamid 3911
  • O,O-Diethyl S-ethylmercaptomethyl dithiophosphate
  • O,O-Diethyl S-ethylthiomethyl dithiophosphate
  • O,O-Diethyl S-[(ethylthio)methyl] phosphorodithioate
  • Experimental insecticide 3911
  • Thimet
  • Thimet G
  • Thimet 10G
  • Phorate 10G
  • Timet
  • Granutox
  • VUAgT 182
  • suScon FuMing
  • Foratox

Work with Phorate

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

Ethion563-12-273 % similar Disulfoton298-04-470 % similar Terbufos13071-79-958 % similar Chlormephos24934-91-655 % similar Carbophenothion786-19-648 % similar Demeton-O298-03-346 % similar Thiometon640-15-343 % similar Dioxathion78-34-243 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia