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Molecule
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
Identifiers
CAS Registry Number
16752-77-5
SMILES
CN=C(O)ON=C(C)SC
InChI Key
UHXUZOCRWCRNSJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)
Names and Synonyms
- Methomyl Common Name
- Ethanimidothioic acid, N-[[(methylamino)carbonyl]oxy]-, methyl ester Synonym
- IN 1179 Synonym
- Du Pont Insecticide 1179 Synonym
- Lannate Synonym
- Methyl N-[(methylcarbamoyl)oxy]thioacetimidate Synonym
- S-Methyl N-[(methylcarbamoyl)oxy]thioacetimidate Synonym
- Methyl O-(methylcarbamyl)thiolacetohydroxamate Synonym
- Methomyl Synonym
- Du Pont 1179 Synonym
- Methyl O-(methylcarbamoyl)thiolacetohydroxamate Synonym
- SD 14999 Synonym
- WL 18236 Synonym
- Mesomile Synonym
- Nudrin Synonym
- Methomyl SP Synonym
- Lannate 90SP Synonym
- Lannate L Synonym
- Lan Bait Synonym
- Mie Duo Wei Synonym
- Dunet Synonym
- Metomil Synonym
- Lannate D Synonym
- Nudrin D Synonym
- Lannate 25 Synonym
- Nudrin 225 Synonym
- Lannate 20 Synonym
- Metomur Synonym
- Lannate 20L Synonym
- Lannate LV Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.21 g/mol | CAS Common Chemistry |
| 162.214 g/mol | RDKit | |
| 162.207 g/mol | chempirical lib | |
| 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 |
| 54.18 Ų | RDKit | |
| LogP | 1.2432 | RDKit |
| Molar Refractivity | 43.69680000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 162.04629856 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 162.21 g/mol; density = 1.300 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10N2O2S.
