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Parathion
CAS: 56-38-2 | C10H14NO5PS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
56-38-2
Molecular Formula:
C10H14NO5PS
Molecular Weight:
291.265 g/mol
Names and Synonyms:
Parathion
Synonym
Phosphorothioic acid, O,O-diethyl O-(4-nitrophenyl) ester
Synonym
Phosphorothioic acid, O,O-diethyl O-(p-nitrophenyl) ester
Synonym
E 605
Synonym
ENT 15108
Synonym
AAT
Synonym
AATP
Synonym
Alkron
Synonym
American Cyanamid 3422
Synonym
Aphamite
Synonym
Bayer E-605
Synonym
Bladan F
Synonym
O,O-Diethyl O-(p-nitrophenyl) phosphorothioate
Synonym
O,O-Diethyl O-(4-nitrophenyl) phosphorothioate
Synonym
Diethyl 4-nitrophenyl phosphorothioate
Synonym
Diethyl p-nitrophenyl thionophosphate
Synonym
O,O-Diethyl O-p-nitrophenyl thiophosphate
Synonym
DNTP
Synonym
Ekatox
Synonym
Ethyl parathion
Synonym
Etilon
Synonym
Niran
Synonym
Nitrostigmine
Synonym
Oleoparathion
Synonym
Paraphos
Synonym
Parathion
Synonym
RB
Synonym
Thiophos 3422
Synonym
Thiophos
Synonym
Folidol
Synonym
Lirothion
Synonym
Nourithion
Synonym
Paramar 50
Synonym
Rhodiatox
Synonym
Oleofos 20
Synonym
Parathion-ethyl
Synonym
Diethyl p-nitrophenyl phosphorothionate
Synonym
Diethyl parathion
Synonym
Folidol oil
Synonym
NIUIF 100
Synonym
E 605F
Synonym
Folidol E
Synonym
Folidol E-605
Synonym
Fosferno
Synonym
Rhodiasol
Synonym
Alleron
Synonym
Oleoparathene
Synonym
Pacol
Synonym
Aralo
Synonym
Gearphos
Synonym
Vitrex
Synonym
Super Rodiatox
Synonym
Fostox
Synonym
Penncap E
Synonym
Selephos
Synonym
Parathene
Synonym
Thiomex
Synonym
Ecatox 20
Synonym
Ekatox 20
Synonym
E 605FT20
Synonym
BAY 1605
Synonym
NSC 8933
Synonym
Galpar
Synonym
Parathion A
Synonym
Phospherno
Synonym
Identifiers:
SMILES:
CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1
InChI:
InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 291.265 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 291.033030178 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 18 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 70.83 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 3.2711000000000023 | RDKit |
| molecular_mass | 291.27 g/mol | Legacy Database |
| density | 1.26 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Parathion None | Legacy Database |
| cas-boiling-point | 375 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O=N(=O)C1=CC=C(OP(=S)(OCC)OCC)C=C1 None | Legacy Database |
| cas-density | 1.26 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=LCCNCVORNKJIRZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 6.1 °C None | Legacy Database |
| cas-name | Parathion None | Legacy Database |
| wikipedia-name | Parathion None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 71.26140000000002 | RDKit |