588692-13-1
5-[(2-CHLORO-5-METHYLPHENOXY)METHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-[(2-CHLORO-5-METHYLPHENOXY)METHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-[(2-CHLORO-5-METHYLPHENOXY)METHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03944386
【English Synonyms】
【Formula】
C12 H14 Cl N3 O S
【MolWeight】
283.782
【Inchi】
InChI=1S/C12H14ClN3OS/c1-3-16-11(14-15-12(16)18)7-17-10-6-8(2)4-5-9(10)13/h4-6H,3,7H2,1-2H3,(H,15,18)
【InChIKey】
InChIKey=NMRNOENSJMCHFR-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1S)COc2cc(ccc2Cl)C
【MOL File】
5-[(2-CHLORO-5-METHY….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-[(2-CHLORO-5-METHYLPHENOXY)METHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml