59898-69-0
2-MERCAPTO-3-P-TOLYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
Name2-MERCAPTO-3-P-TOLYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
1Identification
【Name】
2-MERCAPTO-3-P-TOLYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD01465997
【English Synonyms】
【Formula】
C17 H16 N2 O S2
【MolWeight】
328.458
【Inchi】
InChI=1S/C17H16N2OS2/c1-10-6-8-11(9-7-10)19-16(20)14-12-4-2-3-5-13(12)22-15(14)18-17(19)21/h6-9H,2-5H2,1H3,(H,18,21)
【InChIKey】
InChIKey=YIURYXHWOANFKY-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)n2c(=O)c3c4c(sc3nc2S)CCCC4
【MOL File】
2-MERCAPTO-3-P-TOLYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-MERCAPTO-3-P-TOLYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE.cml