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Molecule
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
Identifiers
CAS Registry Number
13194-48-4
SMILES
CCCSP(=O)(OCC)SCCC
InChI Key
VJYFKVYYMZPMAB-UHFFFAOYSA-N
InChI
InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3
Names and Synonyms
- Ethoprophos Common Name
- Phosphorodithioic acid, O-ethyl S,S-dipropyl ester Synonym
- Ethyl propyl phosphorodithioate ((EtO)(PrS)2PO) Synonym
- O-Ethyl S,S-dipropyl phosphorodithioate Synonym
- Mocap Synonym
- VC 9-104 Synonym
- S,S-Dipropyl O-ethyl phosphorodithioate Synonym
- Prophos (ester) Synonym
- Mocap 10G Synonym
- Ethoprop Synonym
- Ethoprophos Synonym
- Rovokil Synonym
- O-Ethyl S,S-dipropyl dithiophosphate Synonym
- Profos Synonym
- Prophos Synonym
- ENT 27318 Synonym
- Mocap 6EC Synonym
- Mobile Synonym
- Mocap 15G Synonym
- 1-(Ethoxy-propylsulfanylphosphoryl)sulfanylpropane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.35 g/mol | CAS Common Chemistry |
| 242.34599999999995 g/mol | RDKit | |
| 242.346 g/mol | RDKit | |
| 242.332 g/mol | chempirical lib | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.094 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethoprophos | 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 |
| 4.4174 | RDKit | |
| 4.41 | chempirical lib | |
| Molar Refractivity | 64.73050000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 242.05640847799998 g/mol | RDKit |
| Boiling Point | 86-91 °C @ 0.2 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
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MW = 242.35 g/mol; density = 1.090 g/mL. Edit any field — others recompute live.
