733030-57-4
2-(1-CHLOROETHYL)-5-PHENYL-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE
Name2-(1-CHLOROETHYL)-5-PHENYL-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE
1Identification
【Name】
2-(1-CHLOROETHYL)-5-PHENYL-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD04635827
【English Synonyms】
【Formula】
C14 H11 Cl N2 O S
【MolWeight】
290.773
【Inchi】
InChI=1S/C14H11ClN2OS/c1-8(15)12-16-13(18)11-10(7-19-14(11)17-12)9-5-3-2-4-6-9/h2-8H,1H3,(H,16,17,18)
【InChIKey】
InChIKey=VCGWPHZYGGJSIR-UHFFFAOYSA-N
【SMILES】
CC(c1[nH]c(=O)c2c(csc2n1)c3ccccc3)Cl
【MOL File】
2-(1-CHLOROETHYL)-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-(1-CHLOROETHYL)-5-PHENYL-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE.cml