Methyl 3-nitro-4-(phenylthio)benzoate structure

Methyl 3-nitro-4-(phenylthio)benzoate

methyl 3-nitro-4-phenylsulfanylbenzoate

Also Known As: methyl 3-nitro-4-(phenylthio)benzoate|methyl 3-nitro-4-phenylsulfanylbenzoate|methyl 3-nitro-4-(phenylsulfanyl)benzoate|methyl 3-nitro-4-phenylthiobenzoate|methyl3-nitro-4-(phenylthio)benzoate|KS-00001S36|methyl 3-nitro-4-phenylsulfanyl-benzoate|11N-665S|Benzoic acid, 3-nitro-4-(phenylthio)-, methyl ester|methyl 3-nitro-4-(phenylsulfanyl)benzenecarboxylate|3-Nitro-4-(phenylthio)benzoic acid methyl ester

CAS: 33358-30-4
Molecular Formula C14H11NO4S
Molecular Weight 289.0409 g/mol
LogP 3.5326
Topological Polar Surface Area 69.44 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 289.0409
Monoisotopic Mass 289.0409
Heavy Atoms 20
Complexity 642.8771

Chemical Identifiers

CAS Number 33358-30-4
SMILES COC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]

Product Overview

Methyl 3-nitro-4-(phenylthio)benzoate (CAS 33358-30-4), with molecular formula C14H11NO4S and molecular weight 289.0409 g/mol. IUPAC: methyl 3-nitro-4-phenylsulfanylbenzoate.

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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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