Back to Search
Molecule
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
Identifiers
CAS Registry Number
298-04-4
SMILES
CCOP(=S)(OCC)SCCSCC
InChI Key
DOFZAZXDOSGAJZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
Names and Synonyms
- Disulfoton Synonym
- Phosphorodithioic acid, O,O-diethyl S-[2-(ethylthio)ethyl] ester Synonym
- M 74 Synonym
- Bayer 19639 Synonym
- Disulfoton Synonym
- Di-Syston Synonym
- Dithiodemeton Synonym
- Dithiosystox Synonym
- Solvirex Synonym
- Frumin AL Synonym
- Frumin G Synonym
- O,O-Diethyl S-[2-(ethylthio)ethyl] phosphorodithioate Synonym
- Thiodemeton Synonym
- Frumin Synonym
- Glebofos Synonym
- Ethylthiometon B Synonym
- VUAgT 1964 Synonym
- Di-Syston G Synonym
- ENT-23437 Synonym
- Ethyl thiometon Synonym
- VUAgT 1-4 Synonym
- O,O-Diethyl S-[2-(ethylthio)ethyl] dithiophosphate Synonym
- Bay 19639 Synonym
- M 74 (pesticide) Synonym
- Ekatin TD Synonym
- Dution Synonym
- Di-Syston 8 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 274.41 g/mol | CAS Common Chemistry |
| 274.413 g/mol | RDKit | |
| 274.392 g/mol | chempirical lib | |
| 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 |
| 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 |
| 3.7702 | RDKit | |
| Molar Refractivity | 72.99400000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 274.028479478 g/mol | RDKit |
| Boiling Point | 108 °C @ 0.01 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
Convert
Quick conversion
MW = 274.41 g/mol; density = 1.140 g/mL. Edit any field — others recompute live.
