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| CAS No.: | 51308-59-9 |
|---|---|
| Name: | (4-(1,1-Dimethylethyl)phenyl)methyl 1-ethyl-1-methylpropyl-3-pyridinylcarbonimidodithioate |
| Molecular Structure: | |
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| Formula: | C23H32 N2 S2 |
| Molecular Weight: | 400.652 |
| Synonyms: | (4-(1,1-Dimethylethyl)phenyl)methyl 1-ethyl-1-methylpropyl-3-pyridinylcarbonimidodithioate |
| Density: | 1.02g/cm3 |
| Boiling Point: | 516.4°Cat760mmHg |
| Flash Point: | 266.1°C |
| Hazard Symbols: | Moderately toxic by ingestion. |
| Safety: | Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx. |
| PSA: | 75.85000 |
| LogP: | 7.61190 |
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Chemistry
IUPAC Name: 1-[(4-tert-Butylphenyl)methylsulfanyl]-1-(3-methylpentan-3-ylsulfanyl)-N-pyridin-3-ylmethanimine
Following is the structure of 3-Pyridinylcarbonimidodithioic acid, (4-(1,1-dimethylethyl)phenyl)methyl 1-ethyl-1-methylpropyl ester (CAS NO.51308-59-9):
Empirical Formula: C23H32N2S2
Molecular Weight: 400.6436 g/mol
Surface Tension: 36.2 dyne/cm
Density: 1.02 g/cm3
Flash Point: 266.1 °C
Enthalpy of Vaporization: 75.88 kJ/mol
Boiling Point: 516.4 °C at 760 mmHg
Vapour Pressure: 2.93E-10 mmHg at 25 °C
Index of Refraction of 3-Pyridinylcarbonimidodithioic acid, (4-(1,1-dimethylethyl)phenyl)methyl 1-ethyl-1-methylpropyl ester (CAS NO.51308-59-9): 1.555
Canonical SMILES: CCC(C)(CC)SC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)C(C)(C)C
InChI: InChI=1S/C23H32N2S2/c1-7-23(6,8-2)27-21(25-20-10-9-15-24-16-20)26-17-18-11-13-19(14-12-18)22(3,4)5/h9-16H,7-8,17H2,1-6H3
InChIKey: IKQLWDOBBHJGCZ-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-mus LD50:>1 g/kg | USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3899582 . |
Safety Profile
Moderately is toxic by ingestion. When heated to decomposition, 3-Pyridinylcarbonimidodithioic acid, (4-(1,1-dimethylethyl)phenyl)methyl 1-ethyl-1-methylpropyl ester (CAS NO.51308-59-9) emits toxic vapors of NOx and SOx.
Specification
3-Pyridinylcarbonimidodithioic acid, (4-(1,1-dimethylethyl)phenyl)methyl 1-ethyl-1-methylpropyl ester , its cas register number is 51308-59-9. It also can be called Carbonimidodithioic acid, 3-pyridinyl-, (4-(1,1-dimethylethyl)phenyl)methyl 1-ethyl-1-methylpropyl ester . Its classification code are Agricultural Chemical and Fungicide, bactericide, wood preservative.