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Predicted properties of the compound entered.

ID GFTNPKRTROQGEK-UHFFFAOYSA-N
Formula C16H15N3O5S
IUPAC Name 10-butyl-3,7-dinitro-10H-5$l^{4},10-phenothiazin-5-one
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C16H15N3O5S/c1-2-3-8-17-13-6-4-11(18(20)21)9-15(13)25(24)16-10-12(19(22)23)5-7-14(16)17/h4-7,9-10H,2-3,8H2,1H3
Standard InChIKey (User Input) InChIKey=GFTNPKRTROQGEK-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 10-butyl-3,7-dinitrophenothiazine 5-oxide | 10-butyl-3,7-dinitro-phenothiazine 5-oxide | 10-Butyl-3,7-dinitro-10H-phenothiazine 5-oxide | 10H-Phenothiazine, 10-butyl-3,7-dinitro-, 5-oxide
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
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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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Additional Information Link
1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -