199339-17-8
2-((5-(4-CHLOROPHENYL)-1,3,4-OXADIAZOL-2-YL)AMINO)-5-METHYL-4(5H)-THIA ZOLONE
Name2-((5-(4-CHLOROPHENYL)-1,3,4-OXADIAZOL-2-YL)AMINO)-5-METHYL-4(5H)-THIA ZOLONE
1Identification
【Name】
2-((5-(4-CHLOROPHENYL)-1,3,4-OXADIAZOL-2-YL)AMINO)-5-METHYL-4(5H)-THIA ZOLONE
【CAS】
【MDL】
MFCD01939203
【English Synonyms】
【Formula】
C12 H9 Cl N4 O2 S
【MolWeight】
308.748
【Inchi】
InChI=1S/C12H9ClN4O2S/c1-6-9(18)14-12(20-6)15-11-17-16-10(19-11)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,14,15,17,18)
【InChIKey】
InChIKey=MTICFXIGLZVLNK-UHFFFAOYSA-N
【SMILES】
CC1C(=O)N=C(S1)Nc2nnc(o2)c3ccc(cc3)Cl
【MOL File】
2-((5-(4-CHLOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((5-(4-CHLOROPHENYL)-1,3,4-OXADIAZOL-2-YL)AMINO)-5-METHYL-4(5H)-THIA ZOLONE.cml