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Predicted properties of the compound entered.

ID ABCARJNADXRMTQ-UHFFFAOYSA-N
Formula C13H17N3OS3
IUPAC Name 1-(4-amino-3-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}thieno[3,2-d][1,2]thiazol-5-yl)ethan-1-one
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C13H17N3OS3/c1-8(17)11-10(14)9-12(15-20-13(9)19-11)18-7-6-16-4-2-3-5-16/h2-7,14H2,1H3
Standard InChIKey (User Input) InChIKey=ABCARJNADXRMTQ-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 1-[4-amino-3-(2-pyrrolidin-1-ylethylsulfanyl)thieno[4,5-d][1,2]thiazol-5-yl]ethanone | 1-[4-amino-3-(2-pyrrolidin-1-ylethylsulfanyl)thieno[4,5-d]isothiazol-5-yl]ethanone | 1-[4-amino-3-(2-1-pyrrolidinylethylthio)-5-thieno[4,5-d]isothiazolyl]ethanone | 1-[4-amino-3-(2-pyrrolidin-1-ylethylthio)thieno[4,5-d]isothiazol-5-yl]ethanone | 1-(4-Amino-3-([2-(1-pyrrolidinyl)ethyl]sulfanyl)thieno[3,2-d]isothiazol-5-yl)ethanone | 5-Acetyl-4-amino-3-(2-N-pyrrolidinylethylthio)thieno[3,2-d]isothiazole
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 - - -