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Predicted properties of the compound entered.

ID QJRJJAATXDHPGQ-UHFFFAOYSA-N
Formula C11H17O3PS2
IUPAC Name [3,5-dimethyl-4-(methylsulfanyl)phenyl] methyl methoxy(sulfanylidene)phosphonite
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C11H17O3PS2/c1-8-6-10(7-9(2)11(8)17-5)14-15(16,12-3)13-4/h6-7H,1-5H3
Standard InChIKey (User Input) InChIKey=QJRJJAATXDHPGQ-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers (3,5-dimethyl-4-methylsulfanylphenoxy)-dimethoxy-sulfanylidenephosphorane | (3,5-dimethyl-4-methylsulfanyl-phenoxy)-dimethoxy-thioxo-phosphorane | [3,5-dimethyl-4-(methylthio)phenoxy]-dimethoxy-thioxophosphorane | [3,5-dimethyl-4-(methylthio)phenoxy]-dimethoxy-thioxo-phosphorane | (3,5-dimethyl-4-methylsulfanyl-phenoxy)-dimethoxy-sulfanylidene-phosphorane | 55-37-8 | AI3-25684 | BAY 37342 | BRN 2532317 | Bayer 37342 | Bayer 9018 | ENT 25684 | G 347 | O,O-Dimethyl O-(3,5-dimethyl-4-methylthiophenyl) phosphorothioate | O,O-Dimethyl O-4-(methylthio)-3,5-xylyl phosphorothioate | O-(3,5-Dimethyl-4-(methylthio)phenyl) O,O-dimethyl phosphorothioate | Phosphorothioic acid, O,O-dimethyl O-(4-(methylthio)-3,5-xylyl) ester | Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
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