321553-32-6
5-[(4-CHLOROBENZYL)SULFANYL]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBALDEHYDE
Name5-[(4-CHLOROBENZYL)SULFANYL]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBALDEHYDE
FormulaC13 H10 Cl F3 N2 O S
1Identification
【Name】
5-[(4-CHLOROBENZYL)SULFANYL]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBALDEHYDE
【CAS】
【MDL】
MFCD00140838
【English Synonyms】
【Formula】
C13 H10 Cl F3 N2 O S
【MolWeight】
334.748
【Inchi】
InChI=1S/C13H10ClF3N2OS/c1-19-12(10(6-20)11(18-19)13(15,16)17)21-7-8-2-4-9(14)5-3-8/h2-6H,7H2,1H3
【InChIKey】
InChIKey=VQFJCAGUPWZIKZ-UHFFFAOYSA-N
【SMILES】
Cn1c(c(c(n1)C(F)(F)F)C=O)SCc2ccc(cc2)Cl
【MOL File】
5-[(4-CHLOROBENZYL)S….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(4-CHLOROBENZYL)SULFANYL]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBALDEHYDE.cml