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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.
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 |
