571155-99-2
2-(CHLOROMETHYL)-5-(4-METHYLPHENYL)-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE
Name2-(CHLOROMETHYL)-5-(4-METHYLPHENYL)-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE
1Identification
【Name】
2-(CHLOROMETHYL)-5-(4-METHYLPHENYL)-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD03988206
【English Synonyms】
【Formula】
C14 H11 Cl N2 O S
【MolWeight】
290.773
【Inchi】
InChI=1S/C14H11ClN2OS/c1-8-2-4-9(5-3-8)10-7-19-14-12(10)13(18)16-11(6-15)17-14/h2-5,7H,6H2,1H3,(H,16,17,18)
【InChIKey】
InChIKey=RHWNMIOPTSUARP-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)c2csc3c2c(=O)[nH]c(n3)CCl
【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-METHYLPHENYL)-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE.cml