Synonyms
904928-30-9;(s)-1-[3,5-bis-(trifluoromethyl)phenyl]-3-(pyrrolidin-2-ylmethyl)thiourea;1-[3,5-Bis(trifluoromethyl)phenyl]-3-(2alpha-pyrrolidinylmethyl)thiourea;N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(2S)-2-pyrrolidinylmethyl]thiourea, 98%;
IUPAC Name
1-[3,5-bis(trifluoromethyl)phenyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]thiourea;
Molecular Weight
371.345g/mol
Molecular Formula
C14H15F6N3S;
Canonical SMILES
C1CC(NC1)CNC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F;
InChI
InChI=1S/C14H15F6N3S/c15-13(16,17)8-4-9(14(18,19)20)6-11(5-8)23-12(24)22-7-10-2-1-3-21-10/h4-6,10,21H,1-3,7H2,(H2,22,23,24)/t10-/m0/s1;
InChI Key
ULGQYSSQBVDCSA-JTQLQIEISA-N;
Complexity
417
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
1
Exact Mass
371.089g/mol
H-Bond Acceptor
8
H-Bond Donor
3
Heavy Atom Count
24
Monoisotopic Mass
371.089g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
68.2A^2
