5751-17-7
2-(METHYLTHIO)-6-PROPYLPYRIMIDIN-4(3H)-ONE
Name2-(METHYLTHIO)-6-PROPYLPYRIMIDIN-4(3H)-ONE
1Identification
【Name】
2-(METHYLTHIO)-6-PROPYLPYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD00847268
【English Synonyms】
【Formula】
C8 H12 N2 O S
【MolWeight】
184.262
【Inchi】
InChI=1S/C8H12N2OS/c1-3-4-6-5-7(11)10-8(9-6)12-2/h5H,3-4H2,1-2H3,(H,9,10,11)
【InChIKey】
InChIKey=ICULGBASIPYTCI-UHFFFAOYSA-N
【SMILES】
CCCc1cc(=O)[nH]c(n1)SC
【MOL File】
2-(METHYLTHIO)-6-PRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(METHYLTHIO)-6-PROPYLPYRIMIDIN-4(3H)-ONE.cml