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Asulam
CAS: 3337-71-1 | C8H10N2O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3337-71-1
Molecular Formula:
C8H10N2O4S
Molecular Mass:
230.25 g/mol
Names and Synonyms:
Asulam
Carbamic acid, N-[(4-aminophenyl)sulfonyl]-, methyl ester
Carbamic acid, sulfanilyl-, methyl ester
Carbamic acid, [(4-aminophenyl)sulfonyl]-, methyl ester
Methyl 4-aminobenzenesulfonylcarbamate
M and B 9057
Asulam
MB 9057
Methyl (4-aminophenylsulfonyl)carbamate
N1-Methoxycarbonylsulfanilamide
Methyl p-aminobenzenesulfonylcarbamate
Asulox F
Plakin
Plakin (herbicide)
Rattler
Rattler (herbicide)
Asilan
Methyl sulfanilylcarbamate
Identifiers:
SMILES:
COC(O)=NS(=O)(=O)c1ccc(N)cc1
InChI:
InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)
Key Properties
Melting Point
144 °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 | 230.25 g/mol | CAS Common Chemistry |
| 230.245 g/mol | RDKit | |
| 230.0361278 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Asulam | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)NS(=O)(=O)C1=CC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=VGPYEHKOIGNJKV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 144 °C | CAS Common Chemistry |
| Name | Asulam | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 101.98 Ų | RDKit |
| LogP | 0.5179 | RDKit |
| Molar Refractivity | 55.113000000000014 | RDKit |
