948578-68-5
10-METHYL-2-METHYLTHIO-PYRIMIDO[4,5-B]1,2-DIHYDROQUINOLIN-4(1H)-ONE
Name10-METHYL-2-METHYLTHIO-PYRIMIDO[4,5-B]1,2-DIHYDROQUINOLIN-4(1H)-ONE
1Identification
【Name】
10-METHYL-2-METHYLTHIO-PYRIMIDO[4,5-B]1,2-DIHYDROQUINOLIN-4(1H)-ONE
【CAS】
【MDL】
MFCD16875927
【English Synonyms】
【Formula】
C13 H11 N3 O S
【MolWeight】
257.316
【Inchi】
InChI=1S/C13H11N3OS/c1-16-10-6-4-3-5-8(10)7-9-11(16)14-13(18-2)15-12(9)17/h3-7H,1-2H3
【InChIKey】
InChIKey=GFOIJCKIPXCKNB-UHFFFAOYSA-N
【SMILES】
Cn1c2ccccc2cc-3c(=O)nc(nc13)SC
【MOL File】
10-METHYL-2-METHYLTH….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
10-METHYL-2-METHYLTHIO-PYRIMIDO[4,5-B]1,2-DIHYDROQUINOLIN-4(1H)-ONE.cml