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Molecule
Dimethoate
CAS: 60-51-5 · C5H12NO3PS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 60-51-5
- Molecular Formula
- C5H12NO3PS2
- Molecular Mass
- 229.26 g/mol
Identifiers
CAS Registry Number
60-51-5
SMILES
CN=C(O)CSP(=S)(OC)OC
InChI Key
MCWXGJITAZMZEV-UHFFFAOYSA-N
InChI
InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)
Names and Synonyms
- Dimethoate Synonym
- Phosphorodithioic acid, O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] ester Synonym
- Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-mercapto-N-methylacetamide Synonym
- Phosphorodithioic acid, O,O-dimethyl S-(methylcarbamoylmethyl) ester Synonym
- CL 12880 Synonym
- 8014 Bis HC Synonym
- Cygon Synonym
- Cygon Insecticide Synonym
- Dimethoate Synonym
- O,O-Dimethyl S-(N-methylcarbamoylmethyl) phosphorodithioate Synonym
- Dimeton Synonym
- Experimental Insecticide 12880 Synonym
- Fostion MM Synonym
- Lurgo Synonym
- S-Methylcarbamoylmethyl O,O-dimethyl phosphorodithioate Synonym
- Perfekthion Synonym
- Phosphamide Synonym
- Rogor L Synonym
- Rogor P Synonym
- Roxion Synonym
- BI 58 Synonym
- PEI 75 Synonym
- Rogor 40 Synonym
- Rogor Synonym
- Fosfotox Synonym
- Phosphamid Synonym
- Fosfotox R 35 Synonym
- O,O-Dimethyl S-(N-methylcarbamoylmethyl) dithiophosphate Synonym
- Rogor 20L Synonym
- Daphene Synonym
- ENT 24650 Synonym
- Fosfotox R Synonym
- De-fend Synonym
- American Cyanamid 12,880 Synonym
- Cygon 4E Synonym
- FIP Synonym
- Fosfatox R Synonym
- Dimevur Synonym
- Racusan Synonym
- Sinoratox Synonym
- Systoate Synonym
- Systemin Synonym
- Sistemin Synonym
- Cygon 2E Synonym
- Tara 909 Synonym
- Aadimethoal Synonym
- Tara Synonym
- Perfekthion S Synonym
- Cygon 400 Synonym
- Systemin (pesticide) Synonym
- Dimate Synonym
- Dimate (insecticide) Synonym
- Tiomet Synonym
- Laition Synonym
- Chloromezyl Synonym
- Dimezyl Synonym
- Dimezyl 400EC Synonym
- Ditimur 40 Synonym
- Danadim Synonym
- Bi 58 Nowy 400EC Synonym
- Bi 58 Nowy Synonym
- Cerox Synonym
- Dudu Ethoate Synonym
- Super Ethoate Synonym
- Agrithoate 40EC Synonym
- Tafgor 40EC Synonym
- TATA TAFGOR Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 229.26 g/mol | CAS Common Chemistry |
| 229.26299999999998 g/mol | RDKit | |
| 229.263 g/mol | RDKit | |
| 229.249 g/mol | chempirical lib | |
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.277 g/cm3 @ 65 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethoate | CAS Common Chemistry |
| Canonical SMILES | O=C(NC)CSP(=S)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=MCWXGJITAZMZEV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 49 °C | CAS Common Chemistry |
| Name | Dimethoate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 51.05000000000001 Ų | RDKit |
| 51.05 Ų | RDKit | |
| LogP | 1.8232 | RDKit |
| Molar Refractivity | 56.748800000000024 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 228.99962187399998 g/mol | RDKit |
| Boiling Point | 107 °C @ 0.05 Torr | CAS Common Chemistry |
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 = 229.26 g/mol; density = 1.280 g/mL. Edit any field — others recompute live.
