Synonyms
RWXWQJYJWJNJNW-UHFFFAOYSA-N; B3452; I09-3015; 1060-92-0; DTXSID20384410; ZINC95742748; N,N'-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea #; KS-000015FK; TC-104056; Thiourea, N,N'-bis[3,5-bis(trifluoromethyl)phenyl]-;
IUPAC Name
1,3-bis[3,5-bis(trifluoromethyl)phenyl]thiourea;
Molecular Weight
500.306g/mol
Molecular Formula
C17H8F12N2S;
Canonical SMILES
C1=C(C=C(C=C1C(F)(F)F)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F;
InChI
InChI=1S/C17H8F12N2S/c18-14(19,20)7-1-8(15(21,22)23)4-11(3-7)30-13(32)31-12-5-9(16(24,25)26)2-10(6-12)17(27,28)29/h1-6H,(H2,30,31,32);
InChI Key
RWXWQJYJWJNJNW-UHFFFAOYSA-N;
Complexity
556
Covalently-Bonded Unit Count
1
Exact Mass
500.022g/mol
H-Bond Acceptor
13
H-Bond Donor
2
Heavy Atom Count
32
Monoisotopic Mass
500.022g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
56.2A^2
