650615-75-1
1-([5-[(4,5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]THIO)-3,3-DIMETHYLBUTAN-2-ONE
Name1-([5-[(4,5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]THIO)-3,3-DIMETHYLBUTAN-2-ONE
FormulaC13 H17 Cl2 N5 O S
1Identification
【Name】
1-([5-[(4,5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]THIO)-3,3-DIMETHYLBUTAN-2-ONE
【CAS】
【MDL】
MFCD00206676
【English Synonyms】
【Formula】
C13 H17 Cl2 N5 O S
【MolWeight】
362.283
【Inchi】
InChI=1S/C13H17Cl2N5OS/c1-13(2,3)8(21)6-22-12-18-17-9(19(12)4)5-20-7-16-10(14)11(20)15/h7H,5-6H2,1-4H3
【InChIKey】
InChIKey=ZLKOKUHQDQHMIT-UHFFFAOYSA-N
【SMILES】
CC(C)(C)C(=O)CSc1nnc(n1C)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
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-([5-[(4,5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]THIO)-3,3-DIMETHYLBUTAN-2-ONE.cml