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Molecule
Phosmet
CAS: 732-11-6 · C11H12NO4PS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 732-11-6
- Molecular Formula
- C11H12NO4PS2
- Molecular Mass
- 317.33 g/mol
Identifiers
CAS Registry Number
732-11-6
SMILES
COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O
InChI Key
LMNZTLDVJIUSHT-UHFFFAOYSA-N
InChI
InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
Names and Synonyms
- Phosmet Synonym
- Fosmet Synonym
- Phosphorodithioic acid, S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl] O,O-dimethyl ester Synonym
- Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-(mercaptomethyl)phthalimide Synonym
- Phosphorodithioic acid, O,O-dimethyl S-phthalimidomethyl ester Synonym
- R 1504 Synonym
- O,O-Dimethyl S-phthalimidomethyl phosphorodithioate Synonym
- Imidan Synonym
- Phthalophos Synonym
- Prolate Synonym
- Stauffer R 1504 Synonym
- N-(Mercaptomethyl)phthalimide S-(O,O-dimethyl phosphorodithioate) Synonym
- Decemthion Synonym
- Phosmet Synonym
- O,O-Dimethyl S-phthalimidomethyl phosphorodithioate Synonym
- O,O-Dimethyl S-(phthalimidomethyl) dithiophosphate Synonym
- PMP (pesticide) Synonym
- S-Phthalimidomethyl O,O-dimethyl phosphorodithioate Synonym
- Ftalophos Synonym
- Decemthion P-6 Synonym
- Safidon Synonym
- PMP Synonym
- Imidathion Synonym
- Simidan Synonym
- Orbisect Synonym
- Porect Synonym
- Decemthion EK 20 Synonym
- Decemtion Synonym
- Ordatox Synonym
- Starbar GX 118 Synonym
- GWN 1976 Synonym
- Imidan 70WP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 317.33 g/mol | CAS Common Chemistry |
| 317.32800000000003 g/mol | RDKit | |
| 317.328 g/mol | RDKit | |
| 317.314 g/mol | chempirical lib | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.03 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phosmet | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)N1CSP(=S)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LMNZTLDVJIUSHT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 71.9 °C | CAS Common Chemistry |
| Name | Phosmet | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 55.84 Ų | RDKit |
| LogP | 2.4906000000000006 | RDKit |
| 2.4906 | RDKit | |
| 2.47 | chempirical lib | |
| Molar Refractivity | 77.70300000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2727 | RDKit |
| 0.27 | chempirical lib | |
| Exact Mass | 316.994536494 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
160
140
120
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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 = 317.33 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
