Click to view a free sample

Predicted properties of the compound entered.

ID ABEBSOCCFCCWFY-UHFFFAOYSA-N
Formula C11H12N2O2S
IUPAC Name 3-{2-[(4-methylphenyl)sulfanyl]ethyl}-3H-1$l^{4},2,3-oxadiazol-1-ylium-5-olate
SMILES
Standard InChI
Standard InChIKey
Cite this record
Copied
Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C11H12N2O2S/c1-9-2-4-10(5-3-9)16-7-6-13-8-11(14)15-12-13/h2-5,8H,6-7H2,1H3
Standard InChIKey (User Input) InChIKey=ABEBSOCCFCCWFY-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 3-[2-(4-methylphenyl)sulfanylethyl]oxadiazol-3-ium-5-olate | 3-[2-[(4-methylphenyl)thio]ethyl]-5-oxadiazol-3-iumolate | 3-[2-[(4-methylphenyl)thio]ethyl]oxadiazol-3-ium-5-olate | 3-[2-(4-methylphenyl)sulfanylethyl]-1,2,3-oxadiazol-3-ium-5-olate | 96991-48-9 | 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone | 3-Mptes | Sydnone, 3-(2-((4-methylphenyl)thio)ethyl)-
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.

Mol-Instincts Database

Additional Information Link
1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -