2573-84-4
2,6-BIS-(4-METHOXY-PHENYL)-TETRAHYDRO-THIOPYRAN-4-ONE
Name2,6-BIS-(4-METHOXY-PHENYL)-TETRAHYDRO-THIOPYRAN-4-ONE
1Identification
【Name】
2,6-BIS-(4-METHOXY-PHENYL)-TETRAHYDRO-THIOPYRAN-4-ONE
【CAS】
【MDL】
MFCD01232549
【English Synonyms】
【Formula】
C19 H20 O3 S
【MolWeight】
328.43
【Inchi】
InChI=1S/C19H20O3S/c1-21-16-7-3-13(4-8-16)18-11-15(20)12-19(23-18)14-5-9-17(22-2)10-6-14/h3-10,18-19H,11-12H2,1-2H3
【InChIKey】
InChIKey=ICRGSDQNZOTTTN-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)C2CC(=O)CC(S2)c3ccc(cc3)OC
【MOL File】
2,6-BIS-(4-METHOXY-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2,6-BIS-(4-METHOXY-PHENYL)-TETRAHYDRO-THIOPYRAN-4-ONE.cml