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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
Phosphorothioic acid, O,O-diethyl O-(4-nitrophenyl) ester
Phosphorothioic acid, O,O-diethyl O-(p-nitrophenyl) ester
E 605
ENT 15108
AAT
AATP
Alkron
American Cyanamid 3422
Aphamite
Bayer E-605
Bladan F
O,O-Diethyl O-(p-nitrophenyl) phosphorothioate
O,O-Diethyl O-(4-nitrophenyl) phosphorothioate
Diethyl 4-nitrophenyl phosphorothioate
Diethyl p-nitrophenyl thionophosphate
O,O-Diethyl O-p-nitrophenyl thiophosphate
DNTP
Ekatox
Ethyl parathion
Etilon
Niran
Nitrostigmine
Oleoparathion
Paraphos
Parathion
RB
Thiophos 3422
Thiophos
Folidol
Lirothion
Nourithion
Paramar 50
Rhodiatox
Oleofos 20
Parathion-ethyl
Diethyl p-nitrophenyl phosphorothionate
Diethyl parathion
Folidol oil
NIUIF 100
E 605F
Folidol E
Folidol E-605
Fosferno
Rhodiasol
Alleron
Oleoparathene
Pacol
Aralo
Gearphos
Vitrex
Super Rodiatox
Fostox
Penncap E
Selephos
Parathene
Thiomex
Ecatox 20
Ekatox 20
E 605FT20
BAY 1605
NSC 8933
Galpar
Parathion A
Phospherno

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
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
LogP 3.2711000000000023 RDKit

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

Molar

Property Value Source
Molar Refractivity 71.26140000000002 RDKit

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