338417-46-2
5-[(3-METHOXYPHENYL)METHYLENE]-3-METHYL-2-(NITROMETHYLENE)-1,3-THIAZOLAN-4-ONE
Name5-[(3-METHOXYPHENYL)METHYLENE]-3-METHYL-2-(NITROMETHYLENE)-1,3-THIAZOLAN-4-ONE
1Identification
【Name】
5-[(3-METHOXYPHENYL)METHYLENE]-3-METHYL-2-(NITROMETHYLENE)-1,3-THIAZOLAN-4-ONE
【CAS】
【MDL】
MFCD00138474
【English Synonyms】
【Formula】
C13 H12 N2 O4 S
【MolWeight】
292.314
【Inchi】
InChI=1S/C13H12N2O4S/c1-14-12(8-15(17)18)20-11(13(14)16)7-9-4-3-5-10(6-9)19-2/h3-8H,1-2H3/b11-7+,12-8+
【InChIKey】
InChIKey=BVYBFSGNJVDVFR-MKICQXMISA-N
【SMILES】
Cn1/c(=C\[N+](=O)[O-])/s/c(=C/c2cccc(c2)OC)/c1=O
【MOL File】
5-[(3-METHOXYPHENYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(3-METHOXYPHENYL)METHYLENE]-3-METHYL-2-(NITROMETHYLENE)-1,3-THIAZOLAN-4-ONE.cml