2-Oxo-2H-1-benzopyran-3-carbothioic S-acid

Base Information

• Chemical Name: 2-Oxo-2H-1-benzopyran-3-carbothioic S-acid
• CAS No.: 919106-58-4
• Molecular Formula: C10H6O3S
• Molecular Weight: 206.21800
• DSSTox Substance ID: DTXSID60595563
• Nikkaji Number: J2.407.214B
• Wikidata: Q82490592

Synonyms:919106-58-4;2-Oxo-2H-1-benzopyran-3-carbothioic S-acid;SCHEMBL7701761;DTXSID60595563

Chemical Property of 2-Oxo-2H-1-benzopyran-3-carbothioic S-acid

Chemical Property:

• PSA: 86.08000
• LogP: 1.86300
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 206.00376522
• Heavy Atom Count: 14
• Complexity: 309

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)S

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