577996-32-8
4-((3-BROMOBENZYLIDENE)AMINO)-5-(4-F-PH)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
Name4-((3-BROMOBENZYLIDENE)AMINO)-5-(4-F-PH)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
1Identification
【Name】
4-((3-BROMOBENZYLIDENE)AMINO)-5-(4-F-PH)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
【CAS】
【MDL】
MFCD04022500
【English Synonyms】
【Formula】
C15 H10 Br F N4 S
【MolWeight】
377.24
【Inchi】
InChI=1S/C15H10BrFN4S/c16-12-3-1-2-10(8-12)9-18-21-14(19-20-15(21)22)11-4-6-13(17)7-5-11/h1-9H,(H,20,22)/b18-9+
【InChIKey】
InChIKey=QFRJTENRHZIKRV-GIJQJNRQSA-N
【SMILES】
c1cc(cc(c1)Br)/C=N/n2c(nnc2S)c3ccc(cc3)F
【MOL File】
4-((3-BROMOBENZYLIDE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-((3-BROMOBENZYLIDENE)AMINO)-5-(4-F-PH)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE.cml