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Ethion
CAS: 563-12-2 | C9H22O4P2S4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
563-12-2
Molecular Formula:
C9H22O4P2S4
Molecular Mass:
384.49 g/mol
Names and Synonyms:
Ethion
Phosphorodithioic acid, SP,SP′-methylene OP,OP,OP′,OP′-tetraethyl ester
Phosphorodithioic acid, S,S′-methylene O,O,O′,O′-tetraethyl ester
RP 8167
ENT 24,105
Diethion
Ethion
Ethyl methylene phosphorodithioate ([(EtO)2P(S)S]2CH2)
Niagara 1240
Phosphotox E
Rodocid
Tetraethyl S,S′-methylene bis(phosphorothiolothionate)
O,O,O′,O′-Tetraethyl S,S′-methylene bis(phosphorodithioate)
Ethopaz
Nialate
Hylemox
Hylemax
Rodocide
Fosfatox E
Rhodocide
Ethiol 100
Match
Tomahawk
Identifiers:
SMILES:
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
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
Key Properties
Boiling Point
165 °C @ Press: 0.3 Torr
CAS Common Chemistry
Melting Point
-13--12 °C
CAS Common Chemistry
Density
1.22 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 | 384.49 g/mol | CAS Common Chemistry |
| 384.4870000000002 g/mol | RDKit | |
| 383.9876164439999 g/mol | RDKit | |
| Density | 1.22 g/cm³ | CAS Common Chemistry |
| 1.220 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethion | CAS Common Chemistry |
| Boiling Point | 165 °C @ Press: 0.3 Torr | 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 |
| Molar Refractivity | 95.12300000000005 | RDKit |
