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Molecule
Ethion
CAS: 563-12-2 · C9H22O4P2S4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 563-12-2
- Molecular Formula
- C9H22O4P2S4
- Molecular Mass
- 384.49 g/mol
Identifiers
CAS Registry Number
563-12-2
SMILES
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
InChI Key
RIZMRRKBZQXFOY-UHFFFAOYSA-N
InChI
InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3
Names and Synonyms
- Ethion Synonym
- Phosphorodithioic acid, SP,SP′-methylene OP,OP,OP′,OP′-tetraethyl ester Synonym
- Phosphorodithioic acid, S,S′-methylene O,O,O′,O′-tetraethyl ester Synonym
- RP 8167 Synonym
- ENT 24,105 Synonym
- Diethion Synonym
- Ethion Synonym
- Ethyl methylene phosphorodithioate ([(EtO)2P(S)S]2CH2) Synonym
- Niagara 1240 Synonym
- Phosphotox E Synonym
- Rodocid Synonym
- Tetraethyl S,S′-methylene bis(phosphorothiolothionate) Synonym
- O,O,O′,O′-Tetraethyl S,S′-methylene bis(phosphorodithioate) Synonym
- Ethopaz Synonym
- Nialate Synonym
- Hylemox Synonym
- Hylemax Synonym
- Rodocide Synonym
- Fosfatox E Synonym
- Rhodocide Synonym
- Ethiol 100 Synonym
- Match Synonym
- Tomahawk Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 384.49 g/mol | CAS Common Chemistry |
| 384.4870000000002 g/mol | RDKit | |
| 384.487 g/mol | RDKit | |
| 384.459 g/mol | chempirical lib | |
| Density | 1.22 g/cm³ | CAS Common Chemistry |
| 1.220 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethion | CAS Common Chemistry |
| Canonical SMILES | S=P(OCC)(OCC)SCSP(=S)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RIZMRRKBZQXFOY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -13--12 °C | CAS Common Chemistry |
| Name | Ethion | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 5.005300000000004 | RDKit |
| 5.0053 | RDKit | |
| Molar Refractivity | 95.12300000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 383.9876164439999 g/mol | RDKit |
| Boiling Point | 165 °C @ 0.3 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.
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MW = 384.49 g/mol; density = 1.220 g/mL. Edit any field — others recompute live.
