Methyl 4-(cyclopentylthio)-3-nitrobenzoate
methyl 4-cyclopentylsulfanyl-3-nitrobenzoate
Also Known As: methyl 4-(cyclopentylthio)-3-nitrobenzoate|methyl 4-(cyclopentylsulfanyl)-3-nitrobenzoate|methyl 4-cyclopentylsulfanyl-3-nitrobenzoate|methyl 4-cyclopentylthio-3-nitrobenzoate|methyl4-(cyclopentylthio)-3-nitrobenzoate|methyl 4-cyclopentylsulfanyl-3-nitro-benzoate|Benzoic acid, 4-(cyclopentylthio)-3-nitro-, methyl ester|A3997/0170349
CAS: 899374-30-2
| Molecular Formula | C13H15NO4S |
|---|---|
| Molecular Weight | 281.07217 g/mol |
| LogP | 3.4161 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.07217 |
| Monoisotopic Mass | 281.07217 |
| Heavy Atoms | 19 |
| Complexity | 497.41663 |
Chemical Identifiers
| CAS Number | 899374-30-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)SC2CCCC2)[N+](=O)[O-] |
Product Overview
Methyl 4-(cyclopentylthio)-3-nitrobenzoate (CAS 899374-30-2), with molecular formula C13H15NO4S and molecular weight 281.07217 g/mol. IUPAC: methyl 4-cyclopentylsulfanyl-3-nitrobenzoate.
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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