6-Methyl-3-[1-(4-nitrophenoxy)tridecyl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine

Base Information

• Chemical Name: 6-Methyl-3-[1-(4-nitrophenoxy)tridecyl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine
• CAS No.: 139063-47-1
• Molecular Formula: C24H35N5O3S
• DSSTox Substance ID: DTXSID801131832

Synonyms:SCHEMBL8119541;XCGSYHFAACZKST-UHFFFAOYSA-N;DTXSID801131832;6-Methyl-3-[1-(4-nitrophenoxy)tridecyl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine;139063-47-1;6-methyl-3-(1-[4-nitrophenoxy]tridecyl)- 7H-1,2,4-triazolo-(3,4-b)-1,3,4-thiadiazine;6-methyl-3-(1-[4-nitrophenoxy]tridecyl)-7H-1,2,4-triazolo[3,4-b]-[1,3,4]thiadiazine;6-methyl3-(1-[4-nitrophenoxy]tridecyl)-7H-1, 2,4 triazolo(3,4-b)-1,3,4 -thiadiazine

Chemical Property of 6-Methyl-3-[1-(4-nitrophenoxy)tridecyl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine

Chemical Property:

• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 14
• Exact Mass: 473.24606117
• Heavy Atom Count: 33
• Complexity: 609

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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCC(C1=NN=C2N1N=C(CS2)C)OC3=CC=C(C=C3)[N+](=O)[O-]

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