91225-69-3
2-(CHLOROMETHYL)-5-(4-CHLOROPHENYL)THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Name2-(CHLOROMETHYL)-5-(4-CHLOROPHENYL)THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
1Identification
【Name】
2-(CHLOROMETHYL)-5-(4-CHLOROPHENYL)THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD03968049
【English Synonyms】
【Formula】
C13 H8 Cl2 N2 O S
【MolWeight】
311.191
【Inchi】
InChI=1S/C13H8Cl2N2OS/c14-5-10-16-12(18)11-9(6-19-13(11)17-10)7-1-3-8(15)4-2-7/h1-4,6H,5H2,(H,16,17,18)
【InChIKey】
InChIKey=IFNAAJQQYOHYKB-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2csc3c2c(=O)[nH]c(n3)CCl)Cl
【MOL File】
2-(CHLOROMETHYL)-5-(….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
2-(CHLOROMETHYL)-5-(4-CHLOROPHENYL)THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE.cml