Back to Search
Ethoprophos
CAS: 13194-48-4 | C8H19O2PS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13194-48-4
Molecular Formula:
C8H19O2PS2
Molecular Mass:
242.35 g/mol
Names and Synonyms:
Ethoprophos
Phosphorodithioic acid, O-ethyl S,S-dipropyl ester
Ethyl propyl phosphorodithioate ((EtO)(PrS)2PO)
O-Ethyl S,S-dipropyl phosphorodithioate
Mocap
VC 9-104
S,S-Dipropyl O-ethyl phosphorodithioate
Prophos (ester)
Mocap 10G
Ethoprop
Ethoprophos
Rovokil
O-Ethyl S,S-dipropyl dithiophosphate
Profos
Prophos
ENT 27318
Mocap 6EC
Mobile
Mocap 15G
1-(Ethoxy-propylsulfanylphosphoryl)sulfanylpropane
Identifiers:
SMILES:
CCCSP(=O)(OCC)SCCC
InChI:
InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3
Key Properties
Boiling Point
86-91 °C @ Press: 0.2 Torr
CAS Common Chemistry
Melting Point
-13 °C
CAS Common Chemistry
Density
1.09 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 | 242.35 g/mol | CAS Common Chemistry |
| 242.34599999999995 g/mol | RDKit | |
| 242.05640847799998 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.094 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethoprophos | CAS Common Chemistry |
| Boiling Point | 86-91 °C @ Press: 0.2 Torr | CAS Common Chemistry |
| Canonical SMILES | O=P(OCC)(SCCC)SCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VJYFKVYYMZPMAB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -13 °C | CAS Common Chemistry |
| Name | Ethoprophos | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 4.417400000000004 | RDKit |
| Molar Refractivity | 64.73050000000003 | RDKit |
