![2-[[4-Methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile structure](/static/products/6932/693232-47-2.webp)
2-[[4-Methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: SR-01000264238-1|2-({[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile|2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
CAS: 693232-47-2
| Molecular Formula | C17H13N5O2S |
|---|---|
| Molecular Weight | 351.079 g/mol |
| LogP | 3.55428 |
| Topological Polar Surface Area | 97.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.079 |
| Monoisotopic Mass | 351.079 |
| Heavy Atoms | 25 |
| Complexity | 959.91473 |
Chemical Identifiers
| CAS Number | 693232-47-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-[[4-Methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile (CAS 693232-47-2), with molecular formula C17H13N5O2S and molecular weight 351.079 g/mol. IUPAC: 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
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.
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2-[[4-Methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile is a custom synthesis product. We offer services from milligram to kilogram scale.
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