769144-14-1
2-(TRIFLUOROMETHYL)BENZALDEHYDE N-(3-METHYLPHENYL)THIOSEMICARBAZONE
Name2-(TRIFLUOROMETHYL)BENZALDEHYDE N-(3-METHYLPHENYL)THIOSEMICARBAZONE
1Identification
【Name】
2-(TRIFLUOROMETHYL)BENZALDEHYDE N-(3-METHYLPHENYL)THIOSEMICARBAZONE
【CAS】
【MDL】
MFCD06199399
【English Synonyms】
【Formula】
C16 H14 F3 N3 S
【MolWeight】
337.368
【Inchi】
InChI=1S/C16H14F3N3S/c1-11-5-4-7-13(9-11)21-15(23)22-20-10-12-6-2-3-8-14(12)16(17,18)19/h2-10H,1H3,(H2,21,22,23)/b20-10+
【InChIKey】
InChIKey=ASXYTGSSSXFYND-KEBDBYFISA-N
【SMILES】
Cc1cccc(c1)NC(=S)N/N=C/c2ccccc2C(F)(F)F
【MOL File】
2-(TRIFLUOROMETHYL)B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(TRIFLUOROMETHYL)BENZALDEHYDE N-(3-METHYLPHENYL)THIOSEMICARBAZONE.cml