Paraquat methosulfate
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CAS Number 2074-50-2
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Catalog Number io-2799
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Classification Hydrocarbons
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Molecular Weight 408.5000
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SMILES C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]
| Size | QTY | Notes | |
|---|---|---|---|
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| 1 | Paraquat methosulfate |
| 2 | Paraquat I |
| 3 | Paraquat dimetilsulfate |
| 4 | Paraquat dimethylsulfate |
| 5 | Gramoxone methyl sulfate |
| Molecular Formula | C14H20N2O8S2 |
|---|---|
| Canonical SMILES | C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-] |
| Isomeric SMILES | C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-] |
| Molecular Weight | 408.5000 |
| InChIKey | WXJYKXOIFICRPR-UHFFFAOYSA-L |
| InChI | InChI=1S/C12H14N2.2CH4O4S/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;2*1-5-6(2,3)4/h3-10H,1-2H3;2*1H3,(H,2,3,4)/q+2;;/p-2 |
| XLogP | 0.0000 |
| ExactMass | 408.0661 |
| MonoisotopicMass | 408.0661 |
| TPSA | 157.0000 |
| Complexity | 236.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 8 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 26 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 3 |
| PatentCount | 1432 |
| PatentFamilyCount | 356 |
| LiteratureCount | 2 |
