Back to Search
O,O-Diethyl Phosphorochloridothioate
CAS: 2524-04-1 | C4H10ClO2PS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2524-04-1
Molecular Formula:
C4H10ClO2PS
Molecular Mass:
188.62 g/mol
Names and Synonyms:
O,O-Diethyl Phosphorochloridothioate
Phosphorochloridothioic acid, O,O-diethyl ester
Ethyl phosphorochloridothioate ((EtO)2ClPS)
Diethyl chlorothiophosphate
O,O-Diethyl phosphorochloridothioate
O,O-Diethyl phosphorochlorothioate
Diethyl phosphorochloridothioate
Diethyl phosphorochlorothioate
Diethyl thiophosphoryl chloride
O,O-Diethyl chlorothiophosphate
O,O-Diethyl chlorothiophosphonate
O,O-Diethyl phosphorothionochloridate
O,O-Diethyl thiophosphoryl chloride
Diethyl phosphorothiochloridate
O,O-Diethyl chlorothionophosphate
O,O-Diethyl thionophosphoric chloride
O,O-Diethyl thionophosphoryl chloride
O,O-Diethyl thiophosphorochloridate
O,O-Diethyl chloridothionophosphate
O,O-Diethyl phosphorothiochloridate
O,O-Diethyl thionophosphorochloridate
O,O-Diethyl chloridophosphorothioate
Diethoxythiophosphoryl chloride
Diethyl phosphorothionochloridate
O,O-Diethyl thiophosphoric acid chloride
(Chlorodiethoxy)phosphine sulfide
O,O-Diethyl chlorophosphorothioate
NSC 43776
Identifiers:
SMILES:
CCOP(=S)(Cl)OCC
InChI:
InChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3
Key Properties
Boiling Point
110 °C
CAS Common Chemistry
Melting Point
-75 °C
CAS Common Chemistry
Density
1.20 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 | 188.62 g/mol | CAS Common Chemistry |
| 188.61599999999999 g/mol | RDKit | |
| 187.98276487 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.196 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 110 °C | CAS Common Chemistry |
| Canonical SMILES | S=P(Cl)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KMJJJTCKNZYTEY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -75 °C | CAS Common Chemistry |
| Name | O,O-Diethyl phosphorochloridothioate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.5227000000000004 | RDKit |
| Molar Refractivity | 43.39000000000002 | RDKit |
