256507-04-7
5-ISOPROPYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Name5-ISOPROPYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
1Identification
【Name】
5-ISOPROPYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD01311910
【English Synonyms】
【Formula】
C9 H10 N2 O S
【MolWeight】
194.257
【Inchi】
InChI=1S/C9H10N2OS/c1-5(2)6-3-13-9-7(6)8(12)10-4-11-9/h3-5H,1-2H3,(H,10,11,12)
【InChIKey】
InChIKey=ZLEGWXYZILJCGG-UHFFFAOYSA-N
【SMILES】
CC(C)c1csc2c1c(=O)[nH]cn2
【MOL File】
5-ISOPROPYLTHIENO[2,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-ISOPROPYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE.cml