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4-(3-METHYLPHENYL)-2H-PYRIDO[4,3-E]-1,2,4-THIADIAZIN-3(4H)-ONE 1,1-DIOXIDE
Name4-(3-METHYLPHENYL)-2H-PYRIDO[4,3-E]-1,2,4-THIADIAZIN-3(4H)-ONE 1,1-DIOXIDE
1Identification
【Name】
4-(3-METHYLPHENYL)-2H-PYRIDO[4,3-E]-1,2,4-THIADIAZIN-3(4H)-ONE 1,1-DIOXIDE
【CAS】
【MDL】
MFCD09835585
【English Synonyms】
【Formula】
C13 H11 N3 O3 S
【MolWeight】
289.314
【Inchi】
InChI=1S/C13H11N3O3S/c1-9-3-2-4-10(7-9)16-11-5-6-14-8-12(11)20(18,19)15-13(16)17/h2-8H,1H3,(H,15,17)
【InChIKey】
InChIKey=QMCVPDNHQUBJPG-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)N2c3ccncc3S(=O)(=O)NC2=O
【MOL File】
4-(3-METHYLPHENYL)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3-METHYLPHENYL)-2H-PYRIDO[4,3-E]-1,2,4-THIADIAZIN-3(4H)-ONE 1,1-DIOXIDE.cml