725221-37-4
5-[1-(2,4-DIMETHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-[1-(2,4-DIMETHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-[1-(2,4-DIMETHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04140098
【English Synonyms】
【Formula】
C13 H17 N3 O S
【MolWeight】
263.363
【Inchi】
InChI=1S/C13H17N3OS/c1-8-5-6-11(9(2)7-8)17-10(3)12-14-15-13(18)16(12)4/h5-7,10H,1-4H3,(H,15,18)
【InChIKey】
InChIKey=LVZHKFDJIMXVJO-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C)OC(C)c2nnc(n2C)S
【MOL File】
5-[1-(2,4-DIMETHYLPH….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
5-[1-(2,4-DIMETHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml