Bentazon

C10H12N2O3SCAS 25057-89-0240.28 g/mol

Open in Covalent MOL file
NONHSOO
AmideLactam

Properties

Molecular formula
C10H12N2O3S
Molar mass
240.28 g/mol
Exact mass
240.0569 Da
Density
1.41 g/mL (at 20 °C)
Melting point
139.4–141 °C
pKa
2.92 (20 °C), 3.3 (24 °C)
Water solubility
500 mg/L (20 °C)
logP
1.21Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 613-012-00-1), via PubChem.

Precautionary statements

P203, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P333+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number
25057-89-0
SMILES
CC(C)N1C(=O)c2ccccc2NS1(=O)=O
InChIKey
ZOMSMJKLGFBRBS-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

28 names · show all
  • 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(1-methylethyl)-, 2,2-dioxide
  • 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-isopropyl-, 2,2-dioxide
  • 3-Isopropyl-2,1,3-benzothiadiazin-4-one 2,2-dioxide
  • 3-Isopropyl-4-oxo-2,1,3-benzothiadiazine 2,2-dioxide
  • BAS 3510H
  • Basagran
  • BAS 351H
  • BAS 3510
  • BAS 3512H
  • 3-Isopropyl-2,1,3-benzothiadiazine-4-one 2,2-dioxide
  • 3,4-Dihydro-3-isopropyl-1H-2,1,3-benzothiadiazin-4-one 2,2-dioxide
  • 3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxide
  • 3,4-Dihydro-3-isopropyl-4-oxo-1H-2,1,3-benzothiadiazine 2,2-dioxide
  • 3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one S,S-dioxide
  • 3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
  • 3-Isopropyl-1H-2,1,3-benzothiadiazine-4(3H)-one 2,2-dioxide
  • 3-Isopropyl-2,1,3-benzothiodiazin-4-one 2,2-dioxide
  • Bentazone
  • BAS 351-07H
  • BAS 3517H
  • Bendioxide
  • Basagran 480
  • Leader
  • Corsar
  • Basamais
  • Bazargan
  • Basagran 480SL
  • Miecaosong

Work with Bentazon

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isopropylphthalimide304-17-646 % similar N,N-Bis(1-methylethyl)benzamide20383-28-238 % similar N-Methylphthalimide550-44-735 % similar Oil blue A14233-37-535 % similar 2-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide15448-99-435 % similar 1,3-Dihydro-α-methyl-1,3-dioxo-2H-isoindole-2-acetic acid21860-84-434 % similar Pht-ala-oh4192-28-334 % similar 2-[(6,11-Dihydro-5H-dibenz[b,e]azepin-6-yl)methyl]-1H-isoindole-1,3(2H)-dione143878-20-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(6R,7R)-7-Amino-8-oxo-3-(1-propen-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid120709-09-3

Elsewhere

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