Paracetamol cysteine

Base Information

• Chemical Name: Paracetamol cysteine
• CAS No.: 58109-87-8
• Molecular Formula: C11H14 N2 O3 S
• Molecular Weight: 254.31
• DSSTox Substance ID: DTXSID70973691
• Wikidata: Q82957706
• Mol file: 58109-87-8.mol

Synonyms:AA-cysteine;acetaminophen cysteine;paracetamol cysteine

Chemical Property of Paracetamol cysteine

Chemical Property:

• Vapor Pressure: 1.4E-09mmHg at 25°C
• Boiling Point: 485.5°Cat760mmHg
• Flash Point: 247.4°C
• PSA: 0.00000
• Density: 1.305g/cm³
• LogP: 0.00000
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 254.07251349
• Heavy Atom Count: 17
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)OC(=O)C(CS)N
• Isomeric SMILES: CC(=O)NC1=CC=C(C=C1)OC(=O)[C@H](CS)N

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