552309-81-6
4(1H)-PYRIMIDINONE, 5-ETHYL-6-METHYL-2-[(2-METHYLPROPYL)THIO]-
Name4(1H)-PYRIMIDINONE, 5-ETHYL-6-METHYL-2-[(2-METHYLPROPYL)THIO]-
1Identification
【Name】
4(1H)-PYRIMIDINONE, 5-ETHYL-6-METHYL-2-[(2-METHYLPROPYL)THIO]-
【CAS】
【MDL】
MFCD18832235
【English Synonyms】
【Formula】
C11 H18 N2 O S
【MolWeight】
226.342
【Inchi】
InChI=1S/C11H18N2OS/c1-5-9-8(4)12-11(13-10(9)14)15-6-7(2)3/h7H,5-6H2,1-4H3,(H,12,13,14)
【InChIKey】
InChIKey=ZTJQKTIREJBKJO-UHFFFAOYSA-N
【SMILES】
CCc1c([nH]c(nc1=O)SCC(C)C)C
【MOL File】
4(1H)-PYRIMIDINONE, ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4(1H)-PYRIMIDINONE, 5-ETHYL-6-METHYL-2-[(2-METHYLPROPYL)THIO]-.cml