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Molecule
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 Mass
- 291.27 g/mol
Identifiers
CAS Registry Number
56-38-2
SMILES
CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1
InChI Key
LCCNCVORNKJIRZ-UHFFFAOYSA-N
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
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 291.27 g/mol | CAS Common Chemistry |
| 291.265 g/mol | RDKit | |
| 291.258 g/mol | chempirical lib | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.26 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Parathion | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)C1=CC=C(OP(=S)(OCC)OCC)C=C1 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=LCCNCVORNKJIRZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 6.1 °C | CAS Common Chemistry |
| Name | Parathion | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 70.83 Ų | RDKit |
| LogP | 3.2711000000000023 | RDKit |
| 3.2711 | RDKit | |
| Molar Refractivity | 71.26140000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 291.033030178 g/mol | RDKit |
| Boiling Point | 375 °C @ 760 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 = 291.27 g/mol; density = 1.260 g/mL. Edit any field — others recompute live.
