50380-19-3
METHANESULFONIC ACID (1-METHYL-2-PHENYL-6-SULFO-4(1H)-QUINOLYLIDENE) HYDRAZIDE
NameMETHANESULFONIC ACID (1-METHYL-2-PHENYL-6-SULFO-4(1H)-QUINOLYLIDENE) HYDRAZIDE
1Identification
【Name】
METHANESULFONIC ACID (1-METHYL-2-PHENYL-6-SULFO-4(1H)-QUINOLYLIDENE) HYDRAZIDE
【CAS】
【MDL】
MFCD03939548
【English Synonyms】
【Formula】
C17 H17 N3 O5 S2
【MolWeight】
407.469
【Inchi】
InChI=1S/C17H17N3O5S2/c1-20-16-9-8-13(27(23,24)25)10-14(16)15(18-19-26(2,21)22)11-17(20)12-6-4-3-5-7-12/h3-11,19H,1-2H3,(H,23,24,25)/b18-15-
【InChIKey】
InChIKey=NCTIDJBXOKKDPP-SDXDJHTJSA-N
【SMILES】
Cn1c2ccc(cc2/c(=N\NS(=O)(=O)C)/cc1c3ccccc3)S(=O)(=O)O
【MOL File】
METHANESULFONIC ACID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHANESULFONIC ACID (1-METHYL-2-PHENYL-6-SULFO-4(1H)-QUINOLYLIDENE) HYDRAZIDE.cml