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Molecule
Vg (Nerve Agent)
CAS: 78-53-5 · C10H24NO3PS
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 78-53-5
- Molecular Formula
- C10H24NO3PS
- Molecular Mass
- 269.35 g/mol
Identifiers
CAS Registry Number
78-53-5
SMILES
CCOP(=O)(OCC)SCCN(CC)CC
InChI Key
PJISLFCKHOHLLP-UHFFFAOYSA-N
InChI
InChI=1S/C10H24NO3PS/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4/h5-10H2,1-4H3
Names and Synonyms
- Vg (Nerve Agent) Common Name
- Phosphorothioic acid, S-[2-(diethylamino)ethyl] O,O-diethyl ester Synonym
- R 5158 Synonym
- Amiton Synonym
- O,O-Diethyl S-2-diethylaminoethyl phosphorothioate Synonym
- DSDP Synonym
- Inferno Synonym
- Metramac Synonym
- O,O-Diethyl S-2-diethylaminoethyl phosphorothiolate Synonym
- S-(Diethylaminoethyl) O,O-diethyl phosphorothioate Synonym
- VG Synonym
- VG (chemical warfare agent) Synonym
- VG nerve agent Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 269.35 g/mol | CAS Common Chemistry |
| 269.347 g/mol | RDKit | |
| 269.34 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/VG_(nerve_agent) | 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 |
| 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 |
| 3.2425 | RDKit | |
| Molar Refractivity | 71.10450000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 269.12145125800004 g/mol | RDKit |
| Boiling Point | 110 °C @ 0.2 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.
External Resources
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MW = 269.35 g/mol. Edit any field — others recompute live.
