156867-74-2
5-[(4-CHLORO-3,5-DIMETHYLPHENOXY)METHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-[(4-CHLORO-3,5-DIMETHYLPHENOXY)METHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-[(4-CHLORO-3,5-DIMETHYLPHENOXY)METHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03943508
【English Synonyms】
【Formula】
C13 H16 Cl N3 O S
【MolWeight】
297.808
【Inchi】
InChI=1S/C13H16ClN3OS/c1-4-17-11(15-16-13(17)19)7-18-10-5-8(2)12(14)9(3)6-10/h5-6H,4,7H2,1-3H3,(H,16,19)
【InChIKey】
InChIKey=NKMALVBJLYOZCU-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1S)COc2cc(c(c(c2)C)Cl)C
【MOL File】
5-[(4-CHLORO-3,5-DIM….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-[(4-CHLORO-3,5-DIMETHYLPHENOXY)METHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml