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Predicted properties of the compound entered.

ID GERXZJXJRKYFKX-UHFFFAOYSA-N
Formula C15H15N3S
IUPAC Name 2-[(prop-2-en-1-ylsulfanyl)(4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]propanedinitrile
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C15H15N3S/c1-2-7-19-15(12(9-16)10-17)14-8-11-5-3-4-6-13(11)18-14/h2,8,18H,1,3-7H2
Standard InChIKey (User Input) InChIKey=GERXZJXJRKYFKX-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 2-[prop-2-enylsulfanyl-(4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]propanedinitrile | 2-[allylsulfanyl-(4,5,6,7-tetrahydro-1H-indol-2-yl)methylene]propanedinitrile | 2-[(allylthio)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methylene]propanedinitrile | 2-[(allylthio)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methylene]malononitrile | 2-[Allylsulfanyl-(4,5,6,7-tetrahydro-1H-indol-2-yl)-methylene]-malononitrile | BAS 01184138 | SMR000117509 | ZINC04893012 | MLS000527035
This prediction is based on QSPR only and is the first basic approximate estimation.
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
Mol-Instincts Database
 
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 - - -
For professional applications, try our new chemical database based on quantum mechanics - more property data (~2,100 data sets per compound) with higher accuracy.

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1H NMR prediction -
13C NMR prediction -
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