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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
Synonym
Suleo M
Synonym
Malathion
Synonym
Butanedioic acid, 2-[(dimethoxyphosphinothioyl)thio]-, 1,4-diethyl ester
Synonym
SF 60
Synonym
Succinic acid, mercapto-, diethyl ester, S-ester with O,O-dimethyl phosphorodithioate
Synonym
Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester
Synonym
8059HC
Synonym
ENT 17,034
Synonym
American Cyanamid 4,049
Synonym
S-[1,2-Bis(ethoxycarbonyl)ethyl] O,O-dimethyl phosphorodithioate
Synonym
S-[1,2-Bis(ethoxycarbonyl)ethyl] O,O-dimethyl thiophosphate
Synonym
Carbophos
Synonym
Compound 4049
Synonym
Fosfothion
Synonym
Insecticide no. 4049
Synonym
Karbofos
Synonym
Malathion
Synonym
Malathion LV Concentrate
Synonym
Mercaptothion
Synonym
Phosphothion
Synonym
Ethiolacar
Synonym
Fosfotion
Synonym
Malamar 50
Synonym
Oleophosphothion
Synonym
Sadophos
Synonym
Siptox I
Synonym
Sadofos
Synonym
Cythion
Synonym
O,O-Dimethyl S-(1,2-dicarbethoxyethyl) dithiophosphate
Synonym
Sumitox
Synonym
Carbetox
Synonym
Malathion E 50
Synonym
S-[1,2-Bis(carbethoxy)ethyl] O,O-dimethyl dithiophosphate
Synonym
[(Dimethoxyphosphinothioyl)thio]butanedioic acid diethyl ester
Synonym
Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorodithioate
Synonym
Insecticide 4049
Synonym
Carbofos
Synonym
Malaspray
Synonym
Prioderm
Synonym
Zithiol
Synonym
Ortho Malathion
Synonym
Malatol
Synonym
Fyfanon
Synonym
Moscarda
Synonym
TM 4049
Synonym
Malafor
Synonym
Etiol
Synonym
Vetiol
Synonym
Carbetovur
Synonym
TAK (pesticide)
Synonym
Malasol
Synonym
Extermathion
Synonym
Forthion
Synonym
Malathyl
Synonym
Cimexan
Synonym
Hilthion
Synonym
IFO 13140
Synonym
Malataf
Synonym
Mavidan
Synonym
Security
Synonym
Malathyne
Synonym
Malamar
Synonym
Malathine
Synonym
Maldison
Synonym
Ovide
Synonym
Organoderm
Synonym
Derbac M
Synonym
ENT 17034
Synonym
NSC 6524
Synonym
Malatol 500CE
Synonym
Malathion ULV
Synonym
Hi-Yield
Synonym
Radotion P 5
Synonym
Radotion
Synonym
Gammaxine
Synonym
Atrapa
Synonym
Nassrlathion
Synonym
Kunamala
Synonym
Radotion E 50
Synonym
Hymal
Synonym
Malataf 57EC
Synonym
Malapron
Synonym
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 2.1218000000000004 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 77.56500000000004 | RDKit |