57295-61-1
3-(4-METHOXYPHENYL)-4-METHYL-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE
Name3-(4-METHOXYPHENYL)-4-METHYL-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE
1Identification
【Name】
3-(4-METHOXYPHENYL)-4-METHYL-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD01678617
【English Synonyms】
【Formula】
C11 H13 N3 O S
【MolWeight】
235.31
【Inchi】
InChI=1S/C11H13N3OS/c1-14-10(12-13-11(14)16-3)8-4-6-9(15-2)7-5-8/h4-7H,1-3H3
【InChIKey】
InChIKey=JJNVTOZYUABEKT-UHFFFAOYSA-N
【SMILES】
Cn1c(nnc1SC)c2ccc(cc2)OC
【MOL File】
3-(4-METHOXYPHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-METHOXYPHENYL)-4-METHYL-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE.cml