Cas no 5318-93-4 (Phosphorodithioic acid,O-cyclohexyl O-ethyl S-[(ethylthio)methyl] ester (7CI,8CI))

Phosphorodithioic acid,O-cyclohexyl O-ethyl S-[(ethylthio)methyl] ester (7CI,8CI) structure
5318-93-4 structure
Product Name:Phosphorodithioic acid,O-cyclohexyl O-ethyl S-[(ethylthio)methyl] ester (7CI,8CI)
CAS No:5318-93-4
MF:C12H15NO5S
MW:285.316202402115
CID:380451
PubChem ID:722896
Update Time:2025-04-19

Phosphorodithioic acid,O-cyclohexyl O-ethyl S-[(ethylthio)methyl] ester (7CI,8CI) Chemical and Physical Properties

Names and Identifiers

    • Phosphorodithioic acid,O-cyclohexyl O-ethyl S-[(ethylthio)methyl] ester (7CI,8CI)
    • 4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine
    • 4-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-morpholine
    • morpholine, 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]-
    • CBMicro_017473
    • CCG-6045
    • 5318-93-4
    • Oprea1_858495
    • Oprea1_665165
    • Z45515801
    • DivK1c_005009
    • CDS1_003969
    • 4-(2,3-DIHYDRO-1,4-BENZODIOXINE-6-SULFONYL)MORPHOLINE
    • BIM-0017441.P001
    • DTXSID50967699
    • AKOS000384167
    • Inchi: 1S/C12H15NO5S/c14-19(15,13-3-5-16-6-4-13)10-1-2-11-12(9-10)18-8-7-17-11/h1-2,9H,3-8H2
    • InChI Key: RXGJPWDHLIDOTG-UHFFFAOYSA-N
    • SMILES: S(C1C=CC2=C(C=1)OCCO2)(N1CCOCC1)(=O)=O

Computed Properties

  • Exact Mass: 285.06715
  • Monoisotopic Mass: 285.067093
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 401
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 73.4
  • XLogP3: 0.4

Experimental Properties

  • Density: 1.393
  • Boiling Point: 452.8°C at 760 mmHg
  • Flash Point: 227.6°C
  • Refractive Index: 1.582
  • PSA: 65.07
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