578004-37-2
3-FLUOROBENZYL 5-(2-FURYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL SULFIDE
Name3-FLUOROBENZYL 5-(2-FURYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL SULFIDE
1Identification
【Name】
3-FLUOROBENZYL 5-(2-FURYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL SULFIDE
【CAS】
【MDL】
MFCD04023743
【English Synonyms】
【Formula】
C14 H12 F N3 O S
【MolWeight】
289.333
【Inchi】
InChI=1S/C14H12FN3OS/c1-18-13(12-6-3-7-19-12)16-17-14(18)20-9-10-4-2-5-11(15)8-10/h2-8H,9H2,1H3
【InChIKey】
InChIKey=VQHGLKWVUWYMAF-UHFFFAOYSA-N
【SMILES】
Cn1c(nnc1SCc2cccc(c2)F)c3ccco3
【MOL File】
3-FLUOROBENZYL 5-(2-….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
3-FLUOROBENZYL 5-(2-FURYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL SULFIDE.cml