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
  • Bentazone, methylated
  • Bentazone, methyl ester
  • Bentazon methyl ester
  • N-Methylbentazon
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Physical Properties

Property Value Unit Source
ω 0.5990 Relay (1.0) Calculated Property
ΔfG° -74.94 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -408.84 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 87.91 kJ/mol Relay (1.0) Calculated Property
IE 8.26 eV Relay (1.0) Calculated Property
log10WS -2.97 Relay (1.0) Calculated Property
logPoct/wat 1.232 Crippen Calculated Property
McVol 180.850 ml/mol McGowan Calculated Property
Pc 2489.60 kPa Relay (1.0-beta) Calculated Property
Tboil 621.19 K Relay (1.0) Calculated Property
Tc 907.47 K Relay (1.0) Calculated Property
Tfus 403.56 K Relay (1.0) Calculated Property
Vc 0.656 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

N-Desmethylmirtazapine. Nalmefene, bis(trifluoroacetate). cyclomegistine. Benazepril Me. Mirtazapine. Mirtazapine-M (oxo-). Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (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). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

Find more compounds similar to Bentazon methyl.

Sources

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