573945-48-9
2-((2,5-DIMETHYLBENZYL)THIO)-3-ET-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
Name2-((2,5-DIMETHYLBENZYL)THIO)-3-ET-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
1Identification
【Name】
2-((2,5-DIMETHYLBENZYL)THIO)-3-ET-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD04020921
【English Synonyms】
【Formula】
C19 H22 N2 O S2
【MolWeight】
358.528
【Inchi】
InChI=1S/C19H22N2OS2/c1-6-21-18(22)16-13(4)14(5)24-17(16)20-19(21)23-10-15-9-11(2)7-8-12(15)3/h7-9H,6,10H2,1-5H3
【InChIKey】
InChIKey=PSQHDNVBPMXLET-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCc3cc(ccc3C)C)C)C
【MOL File】
2-((2,5-DIMETHYLBENZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((2,5-DIMETHYLBENZYL)THIO)-3-ET-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE.cml