3-{[(3-Acetylphenyl)carbamothioyl]sulfanyl}propanoic acid

Base Information

• Chemical Name: 3-{[(3-Acetylphenyl)carbamothioyl]sulfanyl}propanoic acid
• CAS No.: 84033-80-7
• Molecular Formula: C12H13NO3S2
• Molecular Weight: 283.36700
• DSSTox Substance ID: DTXSID50517512
• Wikidata: Q82379590

Synonyms:84033-80-7;SCHEMBL11288587;3-{[(3-Acetylphenyl)carbamothioyl]sulfanyl}propanoic acid;DTXSID50517512

Chemical Property of 3-{[(3-Acetylphenyl)carbamothioyl]sulfanyl}propanoic acid

Chemical Property:

• PSA: 130.83000
• LogP: 3.01440
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 283.03368562
• Heavy Atom Count: 18
• Complexity: 333

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CC=C1)NC(=S)SCCC(=O)O

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