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Bentazon
CAS: 25057-89-0 | C10H12N2O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25057-89-0
Molecular Formula:
C10H12N2O3S
Molecular Mass:
240.28 g/mol
Names and Synonyms:
Bentazon
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
Bentazon
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
Identifiers:
SMILES:
CC(C)N1C(=O)c2ccccc2NS1(=O)=O
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
Key Properties
Melting Point
139.4-141 °C
CAS Common Chemistry
Density
1.41 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.28 g/mol | CAS Common Chemistry |
| 240.284 g/mol | RDKit | |
| 240.056863244 g/mol | RDKit | |
| Density | 1.41 g/cm³ | CAS Common Chemistry |
| 1.41 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bentazon | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2NS(=O)(=O)N1C(C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=ZOMSMJKLGFBRBS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 139.4-141 °C | CAS Common Chemistry |
| Name | Bentazon | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.48 Ų | RDKit |
| LogP | 1.2074999999999998 | RDKit |
| Molar Refractivity | 60.29000000000003 | RDKit |
