573669-02-0
3-ETHYL-2-((3-FLUOROBENZYL)THIO)-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
Name3-ETHYL-2-((3-FLUOROBENZYL)THIO)-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
1Identification
【Name】
3-ETHYL-2-((3-FLUOROBENZYL)THIO)-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD04017327
【English Synonyms】
【Formula】
C17 H17 F N2 O S2
【MolWeight】
348.464
【Inchi】
InChI=1S/C17H17FN2OS2/c1-4-20-16(21)14-10(2)11(3)23-15(14)19-17(20)22-9-12-6-5-7-13(18)8-12/h5-8H,4,9H2,1-3H3
【InChIKey】
InChIKey=CEXRKHUBUNNMLX-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCc3cccc(c3)F)C)C
【MOL File】
3-ETHYL-2-((3-FLUORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-ETHYL-2-((3-FLUOROBENZYL)THIO)-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE.cml