Ametryn
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CAS Number 834-12-8
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Catalog Number io-1688
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Classification Amines
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Molecular Weight 227.3300
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SMILES CCNC1=NC(=NC(=N1)SC)NC(C)C
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Ametryn is a methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by an ethylamino and an isopropylamino group at positions 4 and 6 respectively. It has a role as a herbicide and an environmental contaminant. It is a diamino-1,3,5-triazine and a methylthio-1,3,5-triazine.
| 1 | Ametryn |
| 2 | AMETRYNE |
| 3 | Gesapax |
| 4 | Ametrex |
| 5 | Evik |
| Molecular Formula | C9H17N5S |
|---|---|
| Canonical SMILES | CCNC1=NC(=NC(=N1)SC)NC(C)C |
| Isomeric SMILES | CCNC1=NC(=NC(=N1)SC)NC(C)C |
| Molecular Weight | 227.3300 |
| InChIKey | RQVYBGPQFYCBGX-UHFFFAOYSA-N |
| InChI | InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14) |
| XLogP | 3.0000 |
| ExactMass | 227.1205 |
| MonoisotopicMass | 227.1205 |
| TPSA | 88.0000 |
| Complexity | 178.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 6 |
| RotatableBondCount | 5 |
| HeavyAtomCount | 15 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 22898 |
| PatentFamilyCount | 5662 |
| LiteratureCount | 934 |
