CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; [HSDB] |
|---|---|
| Color/Form | WHITE, CRYSTALLINE |
| Boiling Point | 154-160 °C at 0.06 mm Hg |
| Melting Point | 104 °C |
| Solubility | 35.9 [ug/mL] (The mean of the results at pH 7.4) |
| Density | 1.115 at 20 °C |
| Vapor Pressure | 0.00000169 [mmHg] |
| LogP | log Kow = 3.74 |
| Stability/Shelf Life | Stable under normal conditions. The methylthio group is hydrolized in the presence of strong acids or alkalis. |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen and sulfur oxides/. |
| Corrosivity | Noncorrosive |
| Dissociation Constants | pKa = 4.30 (weak base) |
| Collision Cross Section | 161.23 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
| Kovats Retention Index | 1902 1910 1906 1912 1935.4 1916.9 1906.2 1910.5 1940 1911.5 1940 1921.1 1910 |
| Chemical Classes | Pesticides -> Herbicides, Triazine |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Environment GHS09 |
| GHS Hazard Statements |
H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
| Molecular Weight | 241.36 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 241.13611680 g/mol |
| Monoisotopic Mass | 241.13611680 g/mol |
| Topological Polar Surface Area | 88 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 206 |
| 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 |
PRODUCT INTRODUCTION
description
Terbutryn is a methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by a tert-butylamino and an ethylamino group at positions 2 and 4 respectively. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a methylthio-1,3,5-triazine and a diamino-1,3,5-triazine.