730976-52-0
6-ACETYL-2-(CHLOROMETHYL)-5-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Name6-ACETYL-2-(CHLOROMETHYL)-5-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
1Identification
【Name】
6-ACETYL-2-(CHLOROMETHYL)-5-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD04623505
【English Synonyms】
【Formula】
C10 H9 Cl N2 O2 S
【MolWeight】
256.712
【Inchi】
InChI=1S/C10H9ClN2O2S/c1-4-7-9(15)12-6(3-11)13-10(7)16-8(4)5(2)14/h3H2,1-2H3,(H,12,13,15)
【InChIKey】
InChIKey=OWNMQNDBYWKYQC-UHFFFAOYSA-N
【SMILES】
Cc1c2c(=O)[nH]c(nc2sc1C(=O)C)CCl
【MOL File】
6-ACETYL-2-(CHLOROME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-ACETYL-2-(CHLOROMETHYL)-5-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE.cml