588673-43-2
5-[1-(4-TERT-BUTYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-[1-(4-TERT-BUTYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-[1-(4-TERT-BUTYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03943462
【English Synonyms】
【Formula】
C15 H21 N3 O S
【MolWeight】
291.417
【Inchi】
InChI=1S/C15H21N3OS/c1-10(13-16-17-14(20)18(13)5)19-12-8-6-11(7-9-12)15(2,3)4/h6-10H,1-5H3,(H,17,20)
【InChIKey】
InChIKey=JGNUIOGFUDACOT-UHFFFAOYSA-N
【SMILES】
CC(c1nnc(n1C)S)Oc2ccc(cc2)C(C)(C)C
【MOL File】
5-[1-(4-TERT-BUTYLPH….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-[1-(4-TERT-BUTYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml