338777-80-3
N,1-DIMETHYL-6-(METHYLSULFANYL)-3,5-DINITRO-1,4-DIHYDRO-2-PYRIDINAMINE
NameN,1-DIMETHYL-6-(METHYLSULFANYL)-3,5-DINITRO-1,4-DIHYDRO-2-PYRIDINAMINE
1Identification
【Name】
N,1-DIMETHYL-6-(METHYLSULFANYL)-3,5-DINITRO-1,4-DIHYDRO-2-PYRIDINAMINE
【CAS】
【MDL】
MFCD00127543
【English Synonyms】
【Formula】
C8 H12 N4 O4 S
【MolWeight】
260.273
【Inchi】
InChI=1S/C8H12N4O4S/c1-9-7-5(11(13)14)4-6(12(15)16)8(17-3)10(7)2/h9H,4H2,1-3H3
【InChIKey】
InChIKey=IGTZDSRJVAYDML-UHFFFAOYSA-N
【SMILES】
CNC1=C(CC(=C(N1C)SC)[N+](=O)[O-])[N+](=O)[O-]
【MOL File】
N,1-DIMETHYL-6-(METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N,1-DIMETHYL-6-(METHYLSULFANYL)-3,5-DINITRO-1,4-DIHYDRO-2-PYRIDINAMINE.cml