303996-02-3
2-(METHYLSULFANYL)-7-(4-PHENOXYPHENYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
Name2-(METHYLSULFANYL)-7-(4-PHENOXYPHENYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
1Identification
【Name】
2-(METHYLSULFANYL)-7-(4-PHENOXYPHENYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
【CAS】
【MDL】
MFCD00138876
【English Synonyms】
【Formula】
C18 H14 N4 O S
【MolWeight】
334.402
【Inchi】
InChI=1S/C18H14N4OS/c1-24-18-20-17-19-12-11-16(22(17)21-18)13-7-9-15(10-8-13)23-14-5-3-2-4-6-14/h2-12H,1H3
【InChIKey】
InChIKey=ZRSNXHIQTYMUPX-UHFFFAOYSA-N
【SMILES】
CSc1nc2nccc(n2n1)c3ccc(cc3)Oc4ccccc4
【MOL File】
2-(METHYLSULFANYL)-7….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(METHYLSULFANYL)-7-(4-PHENOXYPHENYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE.cml