1060-92-0
1,3-BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]THIOUREA
Name1,3-BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]THIOUREA
1Identification
【Name】
1,3-BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]THIOUREA
【CAS】
【MDL】
MFCD00829878
【English Synonyms】
【Formula】
C17 H8 F12 N2 S
【MolWeight】
500.306
【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)
【InChIKey】
InChIKey=RWXWQJYJWJNJNW-UHFFFAOYSA-N
【SMILES】
c1c(cc(cc1C(F)(F)F)NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(F)(F)F
【MOL File】
1,3-BIS[3,5-BIS(TRIF….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]THIOUREA.cml