477845-52-6
2-(ETHYLSULFANYL)-1-METHYL-1H-IMIDAZOLE-5-CARBALDEHYDE N-(4-NITROPHENYL)HYDRAZONE
Name2-(ETHYLSULFANYL)-1-METHYL-1H-IMIDAZOLE-5-CARBALDEHYDE N-(4-NITROPHENYL)HYDRAZONE
1Identification
【Name】
2-(ETHYLSULFANYL)-1-METHYL-1H-IMIDAZOLE-5-CARBALDEHYDE N-(4-NITROPHENYL)HYDRAZONE
【CAS】
【MDL】
MFCD02083063
【English Synonyms】
【Formula】
C13 H15 N5 O2 S
【MolWeight】
305.361
【Inchi】
InChI=1S/C13H15N5O2S/c1-3-21-13-14-8-12(17(13)2)9-15-16-10-4-6-11(7-5-10)18(19)20/h4-9,16H,3H2,1-2H3/b15-9+
【InChIKey】
InChIKey=IAQVBWXRZHNXAM-OQLLNIDSSA-N
【SMILES】
CCSc1ncc(n1C)/C=N/Nc2ccc(cc2)[N+](=O)[O-]
【MOL File】
2-(ETHYLSULFANYL)-1-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(ETHYLSULFANYL)-1-METHYL-1H-IMIDAZOLE-5-CARBALDEHYDE N-(4-NITROPHENYL)HYDRAZONE.cml