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Vg (Nerve Agent)
CAS: 78-53-5 | C10H24NO3PS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
78-53-5
Molecular Formula:
C10H24NO3PS
Molecular Mass:
269.35 g/mol
Names and Synonyms:
Vg (Nerve Agent)
Phosphorothioic acid, S-[2-(diethylamino)ethyl] O,O-diethyl ester
R 5158
Amiton
O,O-Diethyl S-2-diethylaminoethyl phosphorothioate
DSDP
Inferno
Metramac
O,O-Diethyl S-2-diethylaminoethyl phosphorothiolate
S-(Diethylaminoethyl) O,O-diethyl phosphorothioate
VG
VG (chemical warfare agent)
VG nerve agent
Identifiers:
SMILES:
CCOP(=O)(OCC)SCCN(CC)CC
InChI:
InChI=1S/C10H24NO3PS/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4/h5-10H2,1-4H3
Key Properties
Boiling Point
110 °C @ Press: 0.2 Torr
CAS Common Chemistry
Melting Point
<25 °C
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 | 269.35 g/mol | CAS Common Chemistry |
| 269.347 g/mol | RDKit | |
| 269.12145125800004 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/VG_(nerve_agent) | CAS Common Chemistry |
| Boiling Point | 110 °C @ Press: 0.2 Torr | CAS Common Chemistry |
| Canonical SMILES | O=P(OCC)(OCC)SCCN(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H24NO3PS/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4/h5-10H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PJISLFCKHOHLLP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Amiton | CAS Common Chemistry |
| VG (nerve agent) | CAS Common Chemistry | |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.77 Ų | RDKit |
| LogP | 3.2425000000000024 | RDKit |
| Molar Refractivity | 71.10450000000004 | RDKit |
