585554-05-8
ME 4-(((4-METHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)METHYL)PHENYL ETHER
NameME 4-(((4-METHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)METHYL)PHENYL ETHER
1Identification
【Name】
ME 4-(((4-METHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)METHYL)PHENYL ETHER
【CAS】
【MDL】
MFCD04028207
【English Synonyms】
【Formula】
C16 H16 N4 O S
【MolWeight】
312.395
【Inchi】
InChI=1S/C16H16N4OS/c1-20-15(13-4-3-9-17-10-13)18-19-16(20)22-11-12-5-7-14(21-2)8-6-12/h3-10H,11H2,1-2H3
【InChIKey】
InChIKey=RBGHJKYYFGSSMC-UHFFFAOYSA-N
【SMILES】
Cn1c(nnc1SCc2ccc(cc2)OC)c3cccnc3
【MOL File】
ME 4-(((4-METHYL-5-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ME 4-(((4-METHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)METHYL)PHENYL ETHER.cml