860786-00-1
5-METHYL-2-(METHYLSULFANYL)-6-[(E)-3-PHENYL-2-PROPENYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL
Name5-METHYL-2-(METHYLSULFANYL)-6-[(E)-3-PHENYL-2-PROPENYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL
1Identification
【Name】
5-METHYL-2-(METHYLSULFANYL)-6-[(E)-3-PHENYL-2-PROPENYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL
【CAS】
【MDL】
MFCD03305494
【English Synonyms】
【Formula】
C16 H16 N4 O S
【MolWeight】
312.395
【Inchi】
InChI=1S/C16H16N4OS/c1-11-13(10-6-9-12-7-4-3-5-8-12)14(21)20-15(17-11)18-16(19-20)22-2/h3-9,21H,10H2,1-2H3/b9-6+
【InChIKey】
InChIKey=QXTNZQXHZDHIJW-RMKNXTFCSA-N
【SMILES】
Cc1c(c(n2c(n1)nc(n2)SC)O)C/C=C/c3ccccc3
【MOL File】
5-METHYL-2-(METHYLSU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-2-(METHYLSULFANYL)-6-[(E)-3-PHENYL-2-PROPENYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL.cml