28159-98-0
Product Name:
Cybutryne
Formula:
C11H19N5S
Synonyms:
2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-s-triazine
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CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Crystals from water |
|---|---|
| Melting Point | 128-133 °C |
| Solubility | In water, 7 mg/L |
| Vapor Pressure | 6.6X10-7 mm Hg |
| LogP | log Kow = 3.95; also reported as 2.8 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Kovats Retention Index | 2095 |
| Other Experimental Properties | MW: 253.4 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 253.37 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 253.13611680 g/mol |
| Monoisotopic Mass | 253.13611680 g/mol |
| Topological Polar Surface Area | 88 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 251 |
| 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
Irgarol 1051 is a diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine carrying a N-tert-butyl, N'-cyclopropyl and a methylsulfanyl group at position 6. It has a role as an antifouling biocide, a xenobiotic and an environmental contaminant. It is an aryl sulfide, a member of cyclopropanes and a diamino-1,3,5-triazine. It is functionally related to a 1,3,5-triazine-2,4-diamine. It derives from a hydride of a 1,3,5-triazine.