AC1NQ72J
methyl 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate
Also Known As: methyl 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate|Methyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate
CAS: 6288-71-7
| Molecular Formula | C20H23N5O2S2 |
|---|---|
| Molecular Weight | 429.1293 g/mol |
| LogP | 4.01014 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.1293 |
| Monoisotopic Mass | 429.1293 |
| Heavy Atoms | 29 |
| Complexity | 958.0078 |
Chemical Identifiers
| CAS Number | 6288-71-7 |
|---|---|
| SMILES | CCC(C(=O)OC)SC1=NN=C(N1C2=CC=CC=C2)CSC3=NC(=CC(=N3)C)C |
Product Overview
AC1NQ72J (CAS 6288-71-7), with molecular formula C20H23N5O2S2 and molecular weight 429.1293 g/mol. IUPAC: methyl 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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