108096-22-6
4-(1H-[1,2,4]TRIAZOL-3-YLSULFANYL)-2,8-BIS-TRIFLUOROMETHYL-QUINOLINE
Name4-(1H-[1,2,4]TRIAZOL-3-YLSULFANYL)-2,8-BIS-TRIFLUOROMETHYL-QUINOLINE
1Identification
【Name】
4-(1H-[1,2,4]TRIAZOL-3-YLSULFANYL)-2,8-BIS-TRIFLUOROMETHYL-QUINOLINE
【CAS】
【MDL】
MFCD01928553
【English Synonyms】
【Formula】
C13 H6 F6 N4 S
【MolWeight】
364.272
【Inchi】
InChI=1S/C13H6F6N4S/c14-12(15,16)7-3-1-2-6-8(24-11-20-5-21-23-11)4-9(13(17,18)19)22-10(6)7/h1-5H,(H,20,21,23)
【InChIKey】
InChIKey=FRYHMCYYFIIZQM-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)Sc3nc[nH]n3
【MOL File】
4-(1H-[1,2,4]TRIAZOL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(1H-[1,2,4]TRIAZOL-3-YLSULFANYL)-2,8-BIS-TRIFLUOROMETHYL-QUINOLINE.cml