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Molecule
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
Identifiers
CAS Registry Number
23135-22-0
SMILES
CN=C(O)ON=C(SC)C(=O)N(C)C
InChI Key
KZAUOCCYDRDERY-UHFFFAOYSA-N
InChI
InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)
Names and Synonyms
- Oxamyl Common Name
- Ethanimidothioic acid, 2-(dimethylamino)-N-[[(methylamino)carbonyl]oxy]-2-oxo-, methyl ester Synonym
- Oxamimidic acid, N′,N′-dimethyl-N-[(methylcarbamoyl)oxy]-1-thio-, methyl ester Synonym
- Carbamic acid, methyl-, O-[[[(dimethylcarbamoyl)methylthio]methylene]amino] deriv. Synonym
- Du Pont 1410 Synonym
- DPX 1410 Synonym
- Vydate Synonym
- Oxamyl Synonym
- Oxamyl (pesticide) Synonym
- Thioxamyl Synonym
- DPX 1410L Synonym
- Vydate L Synonym
- Vydate G Synonym
- Vydate CLV Synonym
- NSC 379588 Synonym
- Methyl 2-(dimethylamino)-N-[(methylcarbamoyl)oxy]-2-oxoethanimidothioate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 219.27 g/mol | CAS Common Chemistry |
| 219.266 g/mol | RDKit | |
| 219.259 g/mol | chempirical lib | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.97 g/cm3 @ 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 |
| 0.3115 | RDKit | |
| Molar Refractivity | 56.71680000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 219.067762276 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 219.27 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
