588673-85-2
5-[1-(3,4-DIMETHYLPHENOXY)ETHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-[1-(3,4-DIMETHYLPHENOXY)ETHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-[1-(3,4-DIMETHYLPHENOXY)ETHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03943509
【English Synonyms】
【Formula】
C14 H19 N3 O S
【MolWeight】
277.39
【Inchi】
InChI=1S/C14H19N3OS/c1-5-17-13(15-16-14(17)19)11(4)18-12-7-6-9(2)10(3)8-12/h6-8,11H,5H2,1-4H3,(H,16,19)
【InChIKey】
InChIKey=NKIRMRVLGUIHBU-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1S)C(C)Oc2ccc(c(c2)C)C
【MOL File】
5-[1-(3,4-DIMETHYLPH….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-(3,4-DIMETHYLPHENOXY)ETHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml