1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-3-[(1S,2S)-(+)-2-(DIMETHYLAMINO)CYCLOHEXYL]THIOUREA

CAS No.
851477-20-8 ;25501-32-0
CCD No.
CCD00818304
Formula
C17 H21 F6 N3 S
MolWeight
413.428

Basic Information

Product Name: 1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-3-[(1S,2S)-(+)-2-(DIMETHYLAMINO)CYCLOHEXYL]THIOUREA
CAS: 851477-20-8 ;25501-32-0
English Synonyms: 1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((1S,2S)-2-(DIMETHYLAMINO)CYCLOHEXYL)THIOUREA ; 1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-3-[(1S,2S)-(+)-2-(DIMETHYLAMINO)CYCLOHEXYL]THIOUREA ; S,S-TUC
MDL Number.: MFCD09834840
H bond acceptor: 3
H bond donor: 2
Smile: CN(C)[C@H]1CCCC[C@@H]1NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F
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: InChIKey=NQRCAVZHOLYEBJ-KBPBESRZSA-N

Property

Melting Point: 87-88 DEG C
Comments: 01 SOLD FOR RESEARCH PURPOSES ONLY
02 PATENTS PCT APPLICATION NO: JP2004009350 (PUBLICATION WO2005000803) US APPLICATION 10/562,579
03 EPC APPLICATION 04746819.4
SPECIFIC ROTATION: +42 DEG (C 1.16, CHCL3)
WHITE POWDER

Safety information

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