312944-88-0
5-[(E)-(2-HYDROXY-3-METHOXYPHENYL)METHYLIDENE]-1,3-THIAZOLANE-2,4-DIONE
Name5-[(E)-(2-HYDROXY-3-METHOXYPHENYL)METHYLIDENE]-1,3-THIAZOLANE-2,4-DIONE
1Identification
【Name】
5-[(E)-(2-HYDROXY-3-METHOXYPHENYL)METHYLIDENE]-1,3-THIAZOLANE-2,4-DIONE
【CAS】
【MDL】
MFCD00640655
【English Synonyms】
【Formula】
C11 H9 N O4 S
【MolWeight】
251.261
【Inchi】
InChI=1S/C11H9NO4S/c1-16-7-4-2-3-6(9(7)13)5-8-10(14)12-11(15)17-8/h2-5,13H,1H3,(H,12,14,15)/b8-5+
【InChIKey】
InChIKey=YWULELJUDXQYSW-VMPITWQZSA-N
【SMILES】
COc1cccc(c1O)/C=C/2\C(=O)NC(=O)S2
【MOL File】
5-[(E)-(2-HYDROXY-3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(E)-(2-HYDROXY-3-METHOXYPHENYL)METHYLIDENE]-1,3-THIAZOLANE-2,4-DIONE.cml