4-Nitrothiobenzoic acid S-[2-(dimethylamino)ethyl] ester

Base Information

• Chemical Name: 4-Nitrothiobenzoic acid S-[2-(dimethylamino)ethyl] ester
• CAS No.: 55065-03-7
• Molecular Formula: C₁₁H₁₄N₂O₃S
• Molecular Weight: 254.31
• DSSTox Substance ID: DTXSID101216526
• Nikkaji Number: J883.859C

Synonyms:DTXSID101216526;S-[2-(Dimethylamino)ethyl] 4-nitrobenzenecarbothioate;4-Nitrothiobenzoic acid S-[2-(dimethylamino)ethyl] ester;55065-03-7

Chemical Property of 4-Nitrothiobenzoic acid S-[2-(dimethylamino)ethyl] ester

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 254.07251349
• Heavy Atom Count: 17
• Complexity: 270

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CN(C)CCSC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

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