(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide structure
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Common Name | (S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide | ||
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| CAS Number | 959979-30-7 | Molecular Weight | 505.520 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 497.5±55.0 °C at 760 mmHg | |
| Molecular Formula | C23H25F6N3OS | Melting Point | 147-152 °C | |
| MSDS | N/A | Flash Point | 254.7±31.5 °C | |
| Name | (2S)-N-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N,3,3-trimethylbutanamide |
|---|---|
| Synonym | More Synonyms |
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 497.5±55.0 °C at 760 mmHg |
| Melting Point | 147-152 °C |
| Molecular Formula | C23H25F6N3OS |
| Molecular Weight | 505.520 |
| Flash Point | 254.7±31.5 °C |
| Exact Mass | 505.162262 |
| PSA | 83.50000 |
| LogP | 6.50 |
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
| Index of Refraction | 1.542 |
| Hazard Codes | Xn |
|---|---|
| Risk Phrases | R20/21/22-36/37/38 |
| Safety Phrases | S26-36/37 |
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(S)-2-[[3,5-Bis... CAS#:959979-30-7 |
| Literature: Reisman, Sarah E.; Doyle, Abigail G.; Jacobsen, Eric N. Journal of the American Chemical Society, 2008 , vol. 130, # 23 p. 7198 - 7199 |
| Precursor 1 | |
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| DownStream 0 | |
| N-Benzyl-N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-N,3-dimethyl-L-valinamide |
| (S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide |
| (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide |
| Butanamide, 2-[[[[3,5-bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N,3,3-trimethyl-N-(phenylmethyl)-, (2S)- |
| 2-[3-[3,5-bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide |
| 1-((S)-1-(N-benzyl-N-methylcarbamoyl)-2,2-dimethylpropyl)-3-(3,5-bis(trifluoromethyl)phenyl)thiourea |