588674-42-4
5-[1-(4-CHLORO-3,5-DIMETHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-[1-(4-CHLORO-3,5-DIMETHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-[1-(4-CHLORO-3,5-DIMETHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03943564
【English Synonyms】
【Formula】
C13 H16 Cl N3 O S
【MolWeight】
297.808
【Inchi】
InChI=1S/C13H16ClN3OS/c1-7-5-10(6-8(2)11(7)14)18-9(3)12-15-16-13(19)17(12)4/h5-6,9H,1-4H3,(H,16,19)
【InChIKey】
InChIKey=WPDKZGFYSUMDLJ-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1Cl)C)OC(C)c2nnc(n2C)S
【MOL File】
5-[1-(4-CHLORO-3,5-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[1-(4-CHLORO-3,5-DIMETHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml