724749-60-4
5-[1-(4-CHLORO-3-METHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-[1-(4-CHLORO-3-METHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-[1-(4-CHLORO-3-METHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04059115
【English Synonyms】
【Formula】
C12 H14 Cl N3 O S
【MolWeight】
283.782
【Inchi】
InChI=1S/C12H14ClN3OS/c1-7-6-9(4-5-10(7)13)17-8(2)11-14-15-12(18)16(11)3/h4-6,8H,1-3H3,(H,15,18)
【InChIKey】
InChIKey=ZXHFGWLUKGNGMI-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1Cl)OC(C)c2nnc(n2C)S
【MOL File】
5-[1-(4-CHLORO-3-MET….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-(4-CHLORO-3-METHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml