959979-30-7

Name (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide
CAS 959979-30-7
Molecular Formula C23H25F6N3OS
MDL Number MFCD10567031
Molecular Weight 505.52
MOL File 959979-30-7.mol

Chemical Properties

Melting point  147-152 °C
Boiling point  497.5±55.0 °C(Predicted)
density  1.305±0.06 g/cm3(Predicted)
storage temp.  2-8°C, protect from light, stored under nitrogen
form  solid
pka 11.41±0.70(Predicted)
Appearance White to off-white Solid
Optical Rotation [α]20/D -57.0°, c = 1 in chloroform
InChIKey LTFFYVVCUVYZPE-GOSISDBHSA-N
SMILES CN(Cc1ccccc1)C(=O)[C@@H](NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)(C)C

Safety Data

Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Aquatic Chronic 4
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

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