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Oxamyl
CAS: 23135-22-0 | C7H13N3O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23135-22-0
Molecular Formula:
C7H13N3O3S
Molecular Mass:
219.27 g/mol
Names and Synonyms:
Oxamyl
Ethanimidothioic acid, 2-(dimethylamino)-N-[[(methylamino)carbonyl]oxy]-2-oxo-, methyl ester
Oxamimidic acid, N′,N′-dimethyl-N-[(methylcarbamoyl)oxy]-1-thio-, methyl ester
Carbamic acid, methyl-, O-[[[(dimethylcarbamoyl)methylthio]methylene]amino] deriv.
Du Pont 1410
DPX 1410
Vydate
Oxamyl
Oxamyl (pesticide)
Thioxamyl
DPX 1410L
Vydate L
Vydate G
Vydate CLV
NSC 379588
Methyl 2-(dimethylamino)-N-[(methylcarbamoyl)oxy]-2-oxoethanimidothioate
Identifiers:
SMILES:
CN=C(O)ON=C(SC)C(=O)N(C)C
InChI:
InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)
Key Properties
Melting Point
101 °C
CAS Common Chemistry
Density
0.97 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 | 219.27 g/mol | CAS Common Chemistry |
| 219.266 g/mol | RDKit | |
| 219.067762276 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.97 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Oxamyl | CAS Common Chemistry |
| Canonical SMILES | O=C(ON=C(SC)C(=O)N(C)C)NC | CAS Common Chemistry |
| InChI | InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12) | CAS Common Chemistry |
| InChI Key | InChIKey=KZAUOCCYDRDERY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 101 °C | CAS Common Chemistry |
| Name | Oxamyl | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.49 Ų | RDKit |
| LogP | 0.3115000000000001 | RDKit |
| Molar Refractivity | 56.71680000000002 | RDKit |
