Back to Search
Disulfoton
CAS: 298-04-4 | C8H19O2PS3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
298-04-4
Molecular Formula:
C8H19O2PS3
Molecular Mass:
274.41 g/mol
Names and Synonyms:
Disulfoton
Phosphorodithioic acid, O,O-diethyl S-[2-(ethylthio)ethyl] ester
M 74
Bayer 19639
Disulfoton
Di-Syston
Dithiodemeton
Dithiosystox
Solvirex
Frumin AL
Frumin G
O,O-Diethyl S-[2-(ethylthio)ethyl] phosphorodithioate
Thiodemeton
Frumin
Glebofos
Ethylthiometon B
VUAgT 1964
Di-Syston G
ENT-23437
Ethyl thiometon
VUAgT 1-4
O,O-Diethyl S-[2-(ethylthio)ethyl] dithiophosphate
Bay 19639
M 74 (pesticide)
Ekatin TD
Dution
Di-Syston 8
Identifiers:
SMILES:
CCOP(=S)(OCC)SCCSCC
InChI:
InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
Key Properties
Boiling Point
108 °C @ Press: 0.01 Torr
CAS Common Chemistry
Melting Point
-25 °C
CAS Common Chemistry
Density
1.14 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 | 274.41 g/mol | CAS Common Chemistry |
| 274.413 g/mol | RDKit | |
| 274.028479478 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.14 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Disulfoton | CAS Common Chemistry |
| Boiling Point | 108 °C @ Press: 0.01 Torr | CAS Common Chemistry |
| Canonical SMILES | S=P(OCC)(OCC)SCCSCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DOFZAZXDOSGAJZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -25 °C | CAS Common Chemistry |
| Name | Disulfoton | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 3.7702000000000027 | RDKit |
| Molar Refractivity | 72.99400000000004 | RDKit |
