28996-47-6
3-METHYL-5-[1-(4-NITRO-PHENYL)-METH-(Z)-YLIDENE]-2-THIOXO-THIAZOLIDIN-4-ONE
Name3-METHYL-5-[1-(4-NITRO-PHENYL)-METH-(Z)-YLIDENE]-2-THIOXO-THIAZOLIDIN-4-ONE
1Identification
【Name】
3-METHYL-5-[1-(4-NITRO-PHENYL)-METH-(Z)-YLIDENE]-2-THIOXO-THIAZOLIDIN-4-ONE
【CAS】
【MDL】
MFCD02066833
【English Synonyms】
【Formula】
C11 H8 N2 O3 S2
【MolWeight】
280.327
【Inchi】
InChI=1S/C11H8N2O3S2/c1-12-10(14)9(18-11(12)17)6-7-2-4-8(5-3-7)13(15)16/h2-6H,1H3/b9-6-
【InChIKey】
InChIKey=YMEJCAHPHWEJTH-TWGQIWQCSA-N
【SMILES】
CN1C(=O)/C(=C/c2ccc(cc2)[N+](=O)[O-])/SC1=S
【MOL File】
3-METHYL-5-[1-(4-NIT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-5-[1-(4-NITRO-PHENYL)-METH-(Z)-YLIDENE]-2-THIOXO-THIAZOLIDIN-4-ONE.cml