725217-57-2
5-[1-(4-CHLORO-3-METHYLPHENOXY)ETHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-[1-(4-CHLORO-3-METHYLPHENOXY)ETHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-[1-(4-CHLORO-3-METHYLPHENOXY)ETHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04138042
【English Synonyms】
【Formula】
C13 H16 Cl N3 O S
【MolWeight】
297.808
【Inchi】
InChI=1S/C13H16ClN3OS/c1-4-17-12(15-16-13(17)19)9(3)18-10-5-6-11(14)8(2)7-10/h5-7,9H,4H2,1-3H3,(H,16,19)
【InChIKey】
InChIKey=YXZVMCVOVBHZIZ-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1S)C(C)Oc2ccc(c(c2)C)Cl
【MOL File】
5-[1-(4-CHLORO-3-MET….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-METHYLPHENOXY)ETHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml