587008-96-6
2-((2,4-DICHLOROBENZYL)THIO)-3-ET-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
Name2-((2,4-DICHLOROBENZYL)THIO)-3-ET-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
FormulaC17 H16 Cl2 N2 O S2
1Identification
【Name】
2-((2,4-DICHLOROBENZYL)THIO)-3-ET-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD04033299
【English Synonyms】
【Formula】
C17 H16 Cl2 N2 O S2
【MolWeight】
399.364
【Inchi】
InChI=1S/C17H16Cl2N2OS2/c1-4-21-16(22)14-9(2)10(3)24-15(14)20-17(21)23-8-11-5-6-12(18)7-13(11)19/h5-7H,4,8H2,1-3H3
【InChIKey】
InChIKey=XAOGRQHAGXALSZ-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCc3ccc(cc3Cl)Cl)C)C
【MOL File】
2-((2,4-DICHLOROBENZ….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-((2,4-DICHLOROBENZYL)THIO)-3-ET-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE.cml