338417-54-2
5-[(DIMETHYLAMINO)METHYLENE]-3-METHYL-2-(NITROMETHYLENE)-1,3-THIAZOLAN-4-ONE
Name5-[(DIMETHYLAMINO)METHYLENE]-3-METHYL-2-(NITROMETHYLENE)-1,3-THIAZOLAN-4-ONE
1Identification
【Name】
5-[(DIMETHYLAMINO)METHYLENE]-3-METHYL-2-(NITROMETHYLENE)-1,3-THIAZOLAN-4-ONE
【CAS】
【MDL】
MFCD00138479
【English Synonyms】
【Formula】
C8 H11 N3 O3 S
【MolWeight】
229.259
【Inchi】
InChI=1S/C8H11N3O3S/c1-9(2)4-6-8(12)10(3)7(15-6)5-11(13)14/h4-5H,1-3H3/b6-4+,7-5+
【InChIKey】
InChIKey=SGMRRGAMFDAEIK-YDFGWWAZSA-N
【SMILES】
Cn1/c(=C\[N+](=O)[O-])/s/c(=C/N(C)C)/c1=O
【MOL File】
5-[(DIMETHYLAMINO)ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(DIMETHYLAMINO)METHYLENE]-3-METHYL-2-(NITROMETHYLENE)-1,3-THIAZOLAN-4-ONE.cml