- InChI
- InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
- InChI Key
- PRLVTUNWOQKEAI-UHFFFAOYSA-N
- Formula
- C16H23N3OS
- SMILES
-
CC(C)N1C(=O)N(c2ccccc2)CSC1=NC
(C)(C)C - Molecular Weight1
- 305.44
- CAS
- 69327-76-0
- Other Names
-
- (Z)-2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one
- 2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one
- 2-tert-Butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one
- 2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazin-4-one
- 2-tert-Butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiadiazinan-4-one
- 4H-1,3,5-Thiadiazin-4-one, 2-((1,1-dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-
- Applaud
- Buprofezine
- NNI 750
- PP618
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| logPoct/wat | 4.182 | Crippen Calculated Property | |
| McVol | 245.240 | ml/mol | McGowan Calculated Property |
| Inp | [2191.00; 2229.00] |
|
|
| Inp | 2195.00 | NIST | |
| Inp | 2191.00 | NIST | |
| Inp | 2201.00 | NIST | |
| Inp | 2229.00 | NIST | |
| Inp | 2219.00 | NIST | |
| Inp | 2205.00 | NIST | |
| Inp | 2204.00 | NIST | |
| Inp | 2195.00 | NIST | |
| Inp | 2219.00 | NIST | |
| Inp | 2229.00 | NIST | |
| Inp | 2195.00 | NIST | |
| Inp | 2191.00 | NIST | |
| Ip | [2999.00; 2999.00] |
|
|
| Ip | 2999.00 | NIST | |
| Ip | 2999.00 | NIST | |
| Tfus | 378.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Ttriple | 377.95 | K | Solubility Determination and Thermodynamic Modeling of Buprofezin in Different Solvents and Mixing Properties of Solutions |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Similar Compounds
Find more compounds similar to Buprofezin.
Mixtures
- Buprofezin + Formamide, N,N-dimethyl- + Water
- Buprofezin + Ethanol + Water
- Buprofezin + Acetonitrile + Water
- Buprofezin + 2-Propanol + Water
- Buprofezin + Methyl Alcohol
- Buprofezin + Ethanol
- 1-Propanol + Buprofezin
- Buprofezin + 2-Propanol
- Buprofezin + 1-Butanol
- Buprofezin + 1-Octanol
- Buprofezin + Acetone
- Buprofezin + Formamide, N,N-dimethyl-
- Toluene + Buprofezin
- Buprofezin + Ethyl Acetate
- Buprofezin + Acetonitrile
- Buprofezin + Water
- n-Hexane + Buprofezin
- Buprofezin + Ethyl Acetate + Methyl Alcohol
- Buprofezin + Acetonitrile + Ethyl Acetate
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Solvent effect on solubility and preferential solvation analysis of buprofezin dissolved in aqueous co-solvent mixtures of N,N-dimethylformamide, ethanol, acetonitrile and isopropanol
- Solubility Determination and Thermodynamic Modeling of Buprofezin in Different Solvents and Mixing Properties of Solutions
- Thermodynamic Models for Determination of Solid-Liquid Equilibrium of the Buprofezin in Pure and Binary Organic Solvents
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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