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Dimethyl Chlorothiophosphate
CAS: 2524-03-0 | C2H6ClO2PS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2524-03-0
Molecular Formula:
C2H6ClO2PS
Molecular Mass:
160.56 g/mol
Names and Synonyms:
Dimethyl Chlorothiophosphate
Phosphorochloridothioic acid, O,O-dimethyl ester
Methyl phosphorochloridothioate ((MeO)2ClPS)
Dimethyl chlorothiophosphate
Chlorodimethoxyphosphine sulfide
Dimethyl chlorothionophosphate
Dimethyl thiophosphorochloridate
O,O-Dimethyl phosphorochloridothioate
O,O-Dimethyl chlorothiophosphate
O,O-Dimethyl phosphorothionochloridate
O,O-Dimethyl thiophosphoric acid chloride
Dimethoxy thiophosphonyl chloride
O,O-Dimethylthionophosphoryl chloride
Dimethyl thionophosphorochloridate
O,O-Dimethyl thiophosphoryl chloride
O,O-Dimethyl chlorothionophosphate
O,O-Dimethyl thionophosphorochloridate
O,O-Dimethyl phosphorochlorothioate
Dimethyl chlorophosphorothioate
O,O-Dimethyl chlorophosphorothioate
NSC 132984
Identifiers:
SMILES:
COP(=S)(Cl)OC
InChI:
InChI=1S/C2H6ClO2PS/c1-4-6(3,7)5-2/h1-2H3
Key Properties
Boiling Point
66-67 °C @ Press: 16 Torr
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 | 160.56 g/mol | CAS Common Chemistry |
| 160.56199999999998 g/mol | RDKit | |
| 159.95146474199998 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethyl_chlorothiophosphate | CAS Common Chemistry |
| Boiling Point | 66-67 °C @ Press: 16 Torr | CAS Common Chemistry |
| Canonical SMILES | S=P(Cl)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C2H6ClO2PS/c1-4-6(3,7)5-2/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XFBJRFNXPUCPKU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dimethyl chlorothiophosphate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 1.7425 | RDKit |
| Molar Refractivity | 34.156 | RDKit |
