Back to Search
Sulfosulfuron
CAS: 141776-32-1 | C16H18N6O7S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
141776-32-1
Molecular Formula:
C16H18N6O7S2
Molecular Mass:
470.49 g/mol
Names and Synonyms:
Sulfosulfuron
Imidazo[1,2-a]pyridine-3-sulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-2-(ethylsulfonyl)-
N-[[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl]-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide
MON 37500
Sulfosulfuron
MON 37532
Monitor
Monitor (herbicide)
Apyros
Apyros 75WG
MON 37560
Monza
N-(2-Ethylsulfonylimidazo[1,2-a]pyridin-3-ylsulfonyl)-N′-(4,6-dimethoxy-2-pyrimidinyl)urea
Maverick
Apirus
Identifiers:
SMILES:
CCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(O)=Nc1nc(OC)cc(OC)n1
InChI:
InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)
Key Properties
Melting Point
201.4 °C
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 | 470.49 g/mol | CAS Common Chemistry |
| 470.48900000000026 g/mol | RDKit | |
| 470.067838916 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1N=C(OC)C=C(N1)OC)NS(=O)(=O)C2=C(N=C3C=CC=CN32)S(=O)(=O)CC | CAS Common Chemistry |
| InChI | InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23) | CAS Common Chemistry |
| InChI Key | InChIKey=RBSXHDIPCIWOMG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 201.4 °C | CAS Common Chemistry |
| Name | Sulfosulfuron | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 174.43999999999994 Ų | RDKit |
| LogP | 0.4590999999999998 | RDKit |
| Molar Refractivity | 108.10010000000003 | RDKit |
