Malathion
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CAS Number 121-75-5
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Catalog Number io-2579
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Classification Esters
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Molecular Weight 330.4000
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SMILES CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC
| Size | QTY | Notes | |
|---|---|---|---|
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Malathion can cause cancer according to California Labor Code.
| 1 | malathion |
| 2 | Carbophos |
| 3 | Carbofos |
| 4 | Mercaptothion |
| 5 | Karbofos |
| Molecular Formula | C10H19O6PS2 |
|---|---|
| Canonical SMILES | CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC |
| Isomeric SMILES | CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC |
| Molecular Weight | 330.4000 |
| InChIKey | JXSJBGJIGXNWCI-UHFFFAOYSA-N |
| 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 |
| XLogP | 2.4000 |
| ExactMass | 330.0361 |
| MonoisotopicMass | 330.0361 |
| TPSA | 128.0000 |
| Complexity | 341.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 8 |
| RotatableBondCount | 11 |
| HeavyAtomCount | 19 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 1 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 52709 |
| PatentFamilyCount | 16654 |
| LiteratureCount | 9751 |
