4-Methyl-2-methylsulfanyl-1-nitrobenzene
4-methyl-2-methylsulfanyl-1-nitrobenzene
Also Known As: 3-Methylthio-4-nitrotoluol|4-methyl-2-methylsulfanyl-1-nitrobenzene|4-methyl-2-(methylsulfanyl)-1-nitrobenzene|methyl(5-methyl-2-nitrophenyl)sulfane|5-Methyl-2-nitrophenyl(methyl) sulfide|Methyl(2-nitro-5-methylphenyl) sulfide|Benzene,4-methyl-2-(methylthio)-1-nitro-|J3.412.714J
CAS: 2987-77-1
| Molecular Formula | C8H9NO2S |
|---|---|
| Molecular Weight | 183.0354 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.0354 |
| Monoisotopic Mass | 183.0354 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 2987-77-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])SC |
| InChIKey | PSHOIEMEQBSIIG-UHFFFAOYSA-N |
Product Overview
4-Methyl-2-methylsulfanyl-1-nitrobenzene (CAS 2987-77-1), with molecular formula C8H9NO2S and molecular weight 183.0354 g/mol. IUPAC: 4-methyl-2-methylsulfanyl-1-nitrobenzene.
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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