Ametryn (Standard)

Chemical Information
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.
| CAS Number | 834-12-8 |
| PubChem CID | 13263 |
| IUPAC Name | 4-N-ethyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine |
| Molecular Formula | C9H17N5S |
| Molecular Weight | 227.33 |
| XLogP | 3 |
| Topological Polar Surface Area | 88 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 178 |
| Property | Value |
|---|---|
| Molecular Weight | 227.33 |
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 227.12046674 |
| Monoisotopic Mass | 227.12046674 |
| Topological Polar Surface Area | 88 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 178 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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