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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
Names and Synonyms:
Phosmet
Fosmet
Phosphorodithioic acid, S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl] O,O-dimethyl ester
Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-(mercaptomethyl)phthalimide
Phosphorodithioic acid, O,O-dimethyl S-phthalimidomethyl ester
R 1504
O,O-Dimethyl S-phthalimidomethyl phosphorodithioate
Imidan
Phthalophos
Prolate
Stauffer R 1504
N-(Mercaptomethyl)phthalimide S-(O,O-dimethyl phosphorodithioate)
Decemthion
Phosmet
O,O-Dimethyl S-phthalimidomethyl phosphorodithioate
O,O-Dimethyl S-(phthalimidomethyl) dithiophosphate
PMP (pesticide)
S-Phthalimidomethyl O,O-dimethyl phosphorodithioate
Ftalophos
Decemthion P-6
Safidon
PMP
Imidathion
Simidan
Orbisect
Porect
Decemthion EK 20
Decemtion
Ordatox
Starbar GX 118
GWN 1976
Imidan 70WP
Identifiers:
SMILES:
COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O
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
Key Properties
Melting Point
71.9 °C
CAS Common Chemistry
Density
1.03 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 | 317.33 g/mol | CAS Common Chemistry |
| 317.32800000000003 g/mol | RDKit | |
| 316.994536494 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.03 g/cm3 @ Temp: 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 |
| Molar Refractivity | 77.70300000000003 | RDKit |
