959979-30-7
(2S)-2-[[[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO]THIOXOMETHYL]AMINO]-N-3,3-TRIMETHYL-N-(PHENYLMETHYL)BUTANAMIDE
Name(2S)-2-[[[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO]THIOXOMETHYL]AMINO]-N-3,3-TRIMETHYL-N-(PHENYLMETHYL)BUTANAMIDE
1Identification
【Name】
(2S)-2-[[[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO]THIOXOMETHYL]AMINO]-N-3,3-TRIMETHYL-N-(PHENYLMETHYL)BUTANAMIDE
【CAS】
【MDL】
MFCD10567031
【English Synonyms】
【Formula】
C23 H25 F6 N3 O S
【MolWeight】
505.525
【Inchi】
InChI=1S/C23H25F6N3OS/c1-21(2,3)18(19(33)32(4)13-14-8-6-5-7-9-14)31-20(34)30-17-11-15(22(24,25)26)10-16(12-17)23(27,28)29/h5-12,18H,13H2,1-4H3,(H2,30,31,34)/t18-/m1/s1
【InChIKey】
InChIKey=LTFFYVVCUVYZPE-GOSISDBHSA-N
【SMILES】
CC(C)(C)[C@@H](C(=O)N(C)Cc1ccccc1)NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F
【MOL File】
(2S)-2-[[[[3,5-BIS(T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
(2S)-2-[[[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO]THIOXOMETHYL]AMINO]-N-3,3-TRIMETHYL-N-(PHENYLMETHYL)BUTANAMIDE.cml