769144-01-6
2-(TRIFLUOROMETHYL)BENZALDEHYDE N-(3-CHLOROPHENYL)THIOSEMICARBAZONE
Name2-(TRIFLUOROMETHYL)BENZALDEHYDE N-(3-CHLOROPHENYL)THIOSEMICARBAZONE
FormulaC15 H11 Cl F3 N3 S
1Identification
【Name】
2-(TRIFLUOROMETHYL)BENZALDEHYDE N-(3-CHLOROPHENYL)THIOSEMICARBAZONE
【CAS】
【MDL】
MFCD06199408
【English Synonyms】
【Formula】
C15 H11 Cl F3 N3 S
【MolWeight】
357.786
【Inchi】
InChI=1S/C15H11ClF3N3S/c16-11-5-3-6-12(8-11)21-14(23)22-20-9-10-4-1-2-7-13(10)15(17,18)19/h1-9H,(H2,21,22,23)/b20-9+
【InChIKey】
InChIKey=SBDHTGOQLHEDAG-AWQFTUOYSA-N
【SMILES】
c1ccc(c(c1)/C=N/NC(=S)Nc2cccc(c2)Cl)C(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-CHLOROPHENYL)THIOSEMICARBAZONE.cml