42076-13-1
2-MERCAPTO-3-PHENYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
Name2-MERCAPTO-3-PHENYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
1Identification
【Name】
2-MERCAPTO-3-PHENYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD00413462
【English Synonyms】
【Formula】
C16 H14 N2 O S2
【MolWeight】
314.432
【Inchi】
InChI=1S/C16H14N2OS2/c19-15-13-11-8-4-5-9-12(11)21-14(13)17-16(20)18(15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,20)
【InChIKey】
InChIKey=VVTUPMPBYOGHJF-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)n2c(=O)c3c4c(sc3nc2S)CCCC4
【MOL File】
2-MERCAPTO-3-PHENYL-….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-PHENYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE.cml