Chemical Properties of Bentazon methyl (CAS 61592-45-8)

Bentazon methyl

InChI
InChI=1S/C11H14N2O3S/c1-8(2)13-11(14)9-6-4-5-7-10(9)12(3)17(13,15)16/h4-8H,1-3H3
InChI Key
XFTQFXBQDVWOCY-UHFFFAOYSA-N
Formula
C11H14N2O3S
SMILES
CC(C)N1C(=O)c2ccccc2N(C)S1(=O)=O
Molecular Weight1
254.31
CAS
61592-45-8
Other Names
  • Bentazon methyl ester
  • Bentazone, methyl ester
  • Bentazone, methylated
  • N-Methylbentazon
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Physical Properties

Property Value Unit Source
log10WS -2.97 Relay (1.0) Calculated Property
logPoct/wat 1.232 Crippen Calculated Property
McVol 180.850 ml/mol McGowan Calculated Property
Tfus 392.59 K Relay (1.0) Calculated Property

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 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

cyclomegistine. Benazepril Me. N-Desmethylmirtazapine. Nalmefene, bis(trifluoroacetate). MIRTAZAPINE. Mirtazapine-M (oxo-). 9H-purine-6(1h)-thione, 2-amino-9-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Acetylsenecivernine. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. DIHYDROERGOKRYPTINE. ethylmorphine, propionic ester. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Hydromorphone, trimethylsilyl ether. Neopine.

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Sources

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