![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/851477-20-8.gif)
Synonyms
MFCD09834840; NQRCAVZHOLYEBJ-KBPBESRZSA-N; 1-(3,5-bis-trifluoromethylphenyl)-3-((1S,2S)-2-dimethylaminocyclohexyl)-thiourea; 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC); 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea (S,S-TUC); 851477-20-8; 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1S,2S)-2-(dimethylamino)cyclohexyl)thiourea;
IUPAC Name
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-(dimethylamino)cyclohexyl]thiourea;
Molecular Weight
413.426g/mol
Molecular Formula
C17H21F6N3S;
Canonical SMILES
CN(C)C1CCCCC1NC(=S)NC2=CC(=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;
InChI Key
NQRCAVZHOLYEBJ-KBPBESRZSA-N;
Complexity
486
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
413.136g/mol
H-Bond Acceptor
8
H-Bond Donor
2
Heavy Atom Count
27
Monoisotopic Mass
413.136g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
59.4A^2
