510717-74-5
4(1H)-PYRIMIDINONE, 5-ETHYL-6-HYDROXY-2-(2-PROPENYLTHIO)-
Name4(1H)-PYRIMIDINONE, 5-ETHYL-6-HYDROXY-2-(2-PROPENYLTHIO)-
1Identification
【Name】
4(1H)-PYRIMIDINONE, 5-ETHYL-6-HYDROXY-2-(2-PROPENYLTHIO)-
【CAS】
【MDL】
MFCD18835923
【English Synonyms】
【Formula】
C9 H12 N2 O2 S
【MolWeight】
212.272
【Inchi】
InChI=1S/C9H12N2O2S/c1-3-5-14-9-10-7(12)6(4-2)8(13)11-9/h3H,1,4-5H2,2H3,(H2,10,11,12,13)
【InChIKey】
InChIKey=INOXEPVWWLHGIL-UHFFFAOYSA-N
【SMILES】
CCc1c([nH]c(nc1=O)SCC=C)O
【MOL File】
4(1H)-PYRIMIDINONE, ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4(1H)-PYRIMIDINONE, 5-ETHYL-6-HYDROXY-2-(2-PROPENYLTHIO)-.cml