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TAK

CAS: 121-75-5 | C10H19O6PS2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 121-75-5
Molecular Formula: C10H19O6PS2
Molecular Weight: 330.3640000000001 g/mol

Names and Synonyms:

TAK
Suleo M
Malathion
Butanedioic acid, 2-[(dimethoxyphosphinothioyl)thio]-, 1,4-diethyl ester
SF 60
Succinic acid, mercapto-, diethyl ester, S-ester with O,O-dimethyl phosphorodithioate
Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester
8059HC
ENT 17,034
American Cyanamid 4,049
S-[1,2-Bis(ethoxycarbonyl)ethyl] O,O-dimethyl phosphorodithioate
S-[1,2-Bis(ethoxycarbonyl)ethyl] O,O-dimethyl thiophosphate
Carbophos
Compound 4049
Fosfothion
Insecticide no. 4049
Karbofos
Malathion
Malathion LV Concentrate
Mercaptothion
Phosphothion
Ethiolacar
Fosfotion
Malamar 50
Oleophosphothion
Sadophos
Siptox I
Sadofos
Cythion
O,O-Dimethyl S-(1,2-dicarbethoxyethyl) dithiophosphate
Sumitox
Carbetox
Malathion E 50
S-[1,2-Bis(carbethoxy)ethyl] O,O-dimethyl dithiophosphate
[(Dimethoxyphosphinothioyl)thio]butanedioic acid diethyl ester
Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorodithioate
Insecticide 4049
Carbofos
Malaspray
Prioderm
Zithiol
Ortho Malathion
Malatol
Fyfanon
Moscarda
TM 4049
Malafor
Etiol
Vetiol
Carbetovur
TAK (pesticide)
Malasol
Extermathion
Forthion
Malathyl
Cimexan
Hilthion
IFO 13140
Malataf
Mavidan
Security
Malathyne
Malamar
Malathine
Maldison
Ovide
Organoderm
Derbac M
ENT 17034
NSC 6524
Malatol 500CE
Malathion ULV
Hi-Yield
Radotion P 5
Radotion
Gammaxine
Atrapa
Nassrlathion
Kunamala
Radotion E 50
Hymal
Malataf 57EC
Malapron

Identifiers:

SMILES:
CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
InChI:
InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3

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

Molecular

Property Value Source
Molecular Weight 330.3640000000001 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 330.036066958 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 19 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 8 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 9 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 71.06 Ų RDKit

Physical Properties

Property Value Source
LogP 2.1218000000000004 RDKit
molecular_mass 330.36 g/mol Legacy Database
density 1.23 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Malathion None Legacy Database
cas-boiling-point 156-157 °C @ Press: 0.7 Torr None Legacy Database
cas-canonical-smile O=C(OCC)CC(SP(=S)(OC)OC)C(=O)OCC None Legacy Database
cas-density 1.23 g/cm3 @ Temp: 25 °C None Legacy Database
cas-inchi InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3 None Legacy Database
cas-inchi-key InChIKey=JXSJBGJIGXNWCI-UHFFFAOYSA-N None Legacy Database
cas-melting-point 2.9 °C None Legacy Database
cas-name Malathion None Legacy Database
wikipedia-name Malathion None Legacy Database

Molar

Property Value Source
Molar Refractivity 77.56500000000004 RDKit

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