106997-00-6
5-(5-(TRIFLUOROMETHYL)-2-BENZIMIDAZOLYL)-2-FURALDEHYDE 3-THIOSEMICARBAZONE
Name5-(5-(TRIFLUOROMETHYL)-2-BENZIMIDAZOLYL)-2-FURALDEHYDE 3-THIOSEMICARBAZONE
1Identification
【Name】
5-(5-(TRIFLUOROMETHYL)-2-BENZIMIDAZOLYL)-2-FURALDEHYDE 3-THIOSEMICARBAZONE
【CAS】
【MDL】
MFCD01726186
【English Synonyms】
【Formula】
C14 H10 F3 N5 O S
【MolWeight】
353.327
【Inchi】
InChI=1S/C14H10F3N5OS/c15-14(16,17)7-1-3-9-10(5-7)21-12(20-9)11-4-2-8(23-11)6-19-22-13(18)24/h1-6H,(H,20,21)(H3,18,22,24)/b19-6+
【InChIKey】
InChIKey=KGBIUADQEVHEDY-KPSZGOFPSA-N
【SMILES】
c1cc2c(cc1C(F)(F)F)nc([nH]2)c3ccc(o3)/C=N/NC(=S)N
【MOL File】
5-(5-(TRIFLUOROMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(5-(TRIFLUOROMETHYL)-2-BENZIMIDAZOLYL)-2-FURALDEHYDE 3-THIOSEMICARBAZONE.cml