73696-35-2
2-PHENYL-5,6,7,8-TETRAHYDRO-4H-[1]BENZOTHIENO[2,3-D][1,3]OXAZIN-4-ONE
Name2-PHENYL-5,6,7,8-TETRAHYDRO-4H-[1]BENZOTHIENO[2,3-D][1,3]OXAZIN-4-ONE
1Identification
【Name】
2-PHENYL-5,6,7,8-TETRAHYDRO-4H-[1]BENZOTHIENO[2,3-D][1,3]OXAZIN-4-ONE
【CAS】
【MDL】
MFCD00424228
【English Synonyms】
【Formula】
C16 H13 N O2 S
【MolWeight】
283.35
【Inchi】
InChI=1S/C16H13NO2S/c18-16-13-11-8-4-5-9-12(11)20-15(13)17-14(19-16)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
【InChIKey】
InChIKey=WCCHLKANERBZME-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2nc3c(c4c(s3)CCCC4)c(=O)o2
【MOL File】
2-PHENYL-5,6,7,8-TET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-PHENYL-5,6,7,8-TETRAHYDRO-4H-[1]BENZOTHIENO[2,3-D][1,3]OXAZIN-4-ONE.cml