650617-20-2
1-((5-[(4,5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]-1,3,4-OXADIAZOL-2-YL)THIO)-3,3-DIMETHYLBUTAN-2-ONE
Name1-((5-[(4,5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]-1,3,4-OXADIAZOL-2-YL)THIO)-3,3-DIMETHYLBUTAN-2-ONE
FormulaC12 H14 Cl2 N4 O2 S
1Identification
【Name】
1-((5-[(4,5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]-1,3,4-OXADIAZOL-2-YL)THIO)-3,3-DIMETHYLBUTAN-2-ONE
【CAS】
【MDL】
MFCD00111855
【English Synonyms】
【Formula】
C12 H14 Cl2 N4 O2 S
【MolWeight】
349.241
【Inchi】
InChI=1S/C12H14Cl2N4O2S/c1-12(2,3)7(19)5-21-11-17-16-8(20-11)4-18-6-15-9(13)10(18)14/h6H,4-5H2,1-3H3
【InChIKey】
InChIKey=SYSNIBQPXPJRIY-UHFFFAOYSA-N
【SMILES】
CC(C)(C)C(=O)CSc1nnc(o1)Cn2cnc(c2Cl)Cl
【MOL File】
1-((5-[(4,5-DICHLORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-((5-[(4,5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]-1,3,4-OXADIAZOL-2-YL)THIO)-3,3-DIMETHYLBUTAN-2-ONE.cml