![(R)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-(dimethylamino)-3-methylbutan-2-yl]thiourea, 98%, (99% ee)](https://resource.alfa-chemistry.com/structure/1048692-61-0.gif)
Synonyms
SCHEMBL14851115;1048692-61-0;(R)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-(dimethylamino)-3-methylbutan-2-yl]thiourea, 98%, (99% ee);
IUPAC Name
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea;
Molecular Weight
401.415g/mol
Molecular Formula
C16H21F6N3S;
Canonical SMILES
CC(C)C(CN(C)C)NC(=S)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F;
InChI
InChI=1S/C16H21F6N3S/c1-9(2)13(8-25(3)4)24-14(26)23-12-6-10(15(17,18)19)5-11(7-12)16(20,21)22/h5-7,9,13H,8H2,1-4H3,(H2,23,24,26)/t13-/m0/s1;
InChI Key
KRYYOIQNEMXCQT-ZDUSSCGKSA-N;
Complexity
442
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
1
Exact Mass
401.136g/mol
H-Bond Acceptor
8
H-Bond Donor
2
Heavy Atom Count
26
Monoisotopic Mass
401.136g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
59.4A^2
