588673-47-6
5-[(4-CHLORO-2-METHYLPHENOXY)METHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-[(4-CHLORO-2-METHYLPHENOXY)METHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-[(4-CHLORO-2-METHYLPHENOXY)METHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03943466
【English Synonyms】
【Formula】
C11 H12 Cl N3 O S
【MolWeight】
269.755
【Inchi】
InChI=1S/C11H12ClN3OS/c1-7-5-8(12)3-4-9(7)16-6-10-13-14-11(17)15(10)2/h3-5H,6H2,1-2H3,(H,14,17)
【InChIKey】
InChIKey=ZFIDHFSYPWDWLK-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1OCc2nnc(n2C)S)Cl
【MOL File】
5-[(4-CHLORO-2-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-[(4-CHLORO-2-METHYLPHENOXY)METHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml