Chemical Properties of Bensulide (CAS 741-58-2)

Bensulide

InChI
InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3
InChI Key
RRNIZKPFKNDSRS-UHFFFAOYSA-N
Formula
C14H24NO4PS3
SMILES
CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1
Molecular Weight1
397.51
CAS
741-58-2
Other Names
  • Betasan
  • Disan
  • Disan (pesticide)
  • N-(2-Mercaptoethyl)benzenesulfonamide S-(O,O-diisopropyl phosphorodithioate)
  • N-[2-(O,O-Diisopropyldithiophosphoryl)ethyl]benzenesulfonamide
  • O,O-Diisopropyl 2-(benzenesulfonamido)ethyl dithiophosphate
  • O,O-Diisopropyl S-(2-benzenesulfonylaminoethyl) phosphorodithioate
  • Phosphorodithioic acid, O,O-bis(1-methylethyl) S-[2-[(phenylsulfonyl)amino]ethyl] ester
  • Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with N-(2-mercaptoethyl)benzenesulfonamide
  • Prefar
  • R 4461
  • S-«beta»-(Benzenesulfonamido)ethyl O,O-diisopropyl dithiophosphate
  • SAP
  • SAP (herbicide)
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Physical Properties

Property Value Unit Source
log10WS [-4.20; -4.20]   Show Hide
log10WS -4.20 Aq. Solubility Prediction
log10WS -4.20 Estimated Solubility
logPoct/wat 3.773 Crippen Calculated Property
McVol 287.330 ml/mol McGowan Calculated Property
Inp [2728.00; 2728.00]   Show Hide
Inp 2728.00 NIST
Inp 2728.00 NIST
Inp 2728.00 NIST
Tfus [307.55; 311.57] K Show Hide
Tfus 307.55 K Aq. Solubility Prediction
Tfus 311.57 ± 0.20 K NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

vasicinone. 3-Ethyl-2-isopropyl-3,5-dimethyl-1,4,2-diazaphosphorine-2-oxide. 12-O-Methylcarnosol. Hexahydro-3,3,5-trimethyl-2-p-tolyl-1,4,2-diazaphosphorine-2-oxide. Eruciflorine. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Glyceollin III, TMS. Oxymorphone. Acetylgynuramine. Glyceollin V, TMS. 21-Hydroxyintergerrimine. Naloxone, bis(trimethylsilyl) ether. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Oxycodone. (E)-Eruciflorine.

Find more compounds similar to Bensulide.

Sources

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