851477-20-8

Name 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC)
CAS 851477-20-8
Molecular Formula C17H21F6N3S
MDL Number MFCD09834840
Molecular Weight 413.428
MOL File 851477-20-8.mol
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Chemical Properties

Melting point  87-88°C
alpha  +42° (c 1.16, CHCl3)
Boiling point  380.8±52.0 °C(Predicted)
density  1.33±0.1 g/cm3(Predicted)
storage temp.  2-8°C
form  Powder
pka 11.76±0.70(Predicted)
color  white
InChI InChI=1S/C17H21F6N3S/c1-26(2)14-6-4-3-5-13(14)25-15(27)24-12-8-10(16(18,19)20)7-11(9-12)17(21,22)23/h7-9,13-14H,3-6H2,1-2H3,(H2,24,25,27)/t13-,14-/m0/s1
InChIKey NQRCAVZHOLYEBJ-KBPBESRZSA-N
SMILES N(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(N[C@H]1CCCC[C@@H]1N(C)C)=S

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338

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