733030-48-3
5-(4-BROMOPHENYL)-2-(CHLOROMETHYL)-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE
Name5-(4-BROMOPHENYL)-2-(CHLOROMETHYL)-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE
FormulaC13 H8 Br Cl N2 O S
1Identification
【Name】
5-(4-BROMOPHENYL)-2-(CHLOROMETHYL)-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD04635814
【English Synonyms】
【Formula】
C13 H8 Br Cl N2 O S
【MolWeight】
355.642
【Inchi】
InChI=1S/C13H8BrClN2OS/c14-8-3-1-7(2-4-8)9-6-19-13-11(9)12(18)16-10(5-15)17-13/h1-4,6H,5H2,(H,16,17,18)
【InChIKey】
InChIKey=GNYVDNGHQNRGLG-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2csc3c2c(=O)[nH]c(n3)CCl)Br
【MOL File】
5-(4-BROMOPHENYL)-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(4-BROMOPHENYL)-2-(CHLOROMETHYL)-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE.cml