588673-51-2
4-METHYL-5-[1-(2-METHYLPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Name4-METHYL-5-[1-(2-METHYLPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
4-METHYL-5-[1-(2-METHYLPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03943470
【English Synonyms】
【Formula】
C12 H15 N3 O S
【MolWeight】
249.337
【Inchi】
InChI=1S/C12H15N3OS/c1-8-6-4-5-7-10(8)16-9(2)11-13-14-12(17)15(11)3/h4-7,9H,1-3H3,(H,14,17)
【InChIKey】
InChIKey=OKBATRZDTGFJBZ-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1OC(C)c2nnc(n2C)S
【MOL File】
4-METHYL-5-[1-(2-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
4-METHYL-5-[1-(2-METHYLPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL.cml