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Methomyl
CAS: 16752-77-5 | C5H10N2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16752-77-5
Molecular Formula:
C5H10N2O2S
Molecular Mass:
162.21 g/mol
Names and Synonyms:
Methomyl
Ethanimidothioic acid, N-[[(methylamino)carbonyl]oxy]-, methyl ester
IN 1179
Du Pont Insecticide 1179
Lannate
Methyl N-[(methylcarbamoyl)oxy]thioacetimidate
S-Methyl N-[(methylcarbamoyl)oxy]thioacetimidate
Methyl O-(methylcarbamyl)thiolacetohydroxamate
Methomyl
Du Pont 1179
Methyl O-(methylcarbamoyl)thiolacetohydroxamate
SD 14999
WL 18236
Mesomile
Nudrin
Methomyl SP
Lannate 90SP
Lannate L
Lan Bait
Mie Duo Wei
Dunet
Metomil
Lannate D
Nudrin D
Lannate 25
Nudrin 225
Lannate 20
Metomur
Lannate 20L
Lannate LV
Identifiers:
SMILES:
CN=C(O)ON=C(C)SC
InChI:
InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)
Key Properties
Melting Point
78-79 °C
CAS Common Chemistry
Density
1.30 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 | 162.21 g/mol | CAS Common Chemistry |
| 162.214 g/mol | RDKit | |
| 162.04629856 g/mol | RDKit | |
| Density | 1.30 g/cm³ | CAS Common Chemistry |
| 1.3 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methomyl | CAS Common Chemistry |
| Canonical SMILES | O=C(ON=C(SC)C)NC | CAS Common Chemistry |
| InChI | InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8) | CAS Common Chemistry |
| InChI Key | InChIKey=UHXUZOCRWCRNSJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 78-79 °C | CAS Common Chemistry |
| Name | Methomyl | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.18000000000001 Ų | RDKit |
| LogP | 1.2432 | RDKit |
| Molar Refractivity | 43.69680000000002 | RDKit |
