![N-[(1R,2R)-2-Aminocyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea, 98%, (99% ee)](https://resource.alfa-chemistry.com/structure/860994-58-7.gif)
Synonyms
SCHEMBL3891762;XZECTQVYSKGNEA-VXGBXAGGSA-N;860994-58-7;1-((1R,2R)-2-aminocyclohexyl)-3-(3,5-bis(trifluoromethyl)phenyl)thiourea;1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1beta)-2alpha-aminocyclohexyl]thiourea;N-[(1R,2R)-2-Aminocyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea, 98%, (99% ee);
IUPAC Name
1-[(1R,2R)-2-aminocyclohexyl]-3-[3,5-bis(trifluoromethyl)phenyl]thiourea;
Molecular Weight
385.372g/mol
Molecular Formula
C15H17F6N3S;
Canonical SMILES
C1CCC(C(C1)N)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F;
InChI
InChI=1S/C15H17F6N3S/c16-14(17,18)8-5-9(15(19,20)21)7-10(6-8)23-13(25)24-12-4-2-1-3-11(12)22/h5-7,11-12H,1-4,22H2,(H2,23,24,25)/t11-,12-/m1/s1;
InChI Key
XZECTQVYSKGNEA-VXGBXAGGSA-N;
Complexity
445
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
385.105g/mol
H-Bond Acceptor
8
H-Bond Donor
3
Heavy Atom Count
25
Monoisotopic Mass
385.105g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
82.2A^2
