Methyl 4-methyl-2-nitro-3-sulfanylbenzoate

Base Information

• Chemical Name: Methyl 4-methyl-2-nitro-3-sulfanylbenzoate
• CAS No.: 62486-45-7
• Molecular Formula: C9H9NO4S
• Molecular Weight: 227.23700
• DSSTox Substance ID: DTXSID50489801
• Wikidata: Q82333274

Synonyms:Methyl 4-methyl-2-nitro-3-sulfanylbenzoate;62486-45-7;DTXSID50489801

Chemical Property of Methyl 4-methyl-2-nitro-3-sulfanylbenzoate

Chemical Property:

• PSA: 110.92000
• LogP: 2.50170
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 227.02522894
• Heavy Atom Count: 15
• Complexity: 265

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)C(=O)OC)[N+](=O)[O-])S

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