3-mercapto-1H-indole-2-carboxylic acid

Base Information

• Chemical Name: 3-mercapto-1H-indole-2-carboxylic acid
• CAS No.: 61830-04-4
• Molecular Formula: C₉H₇NO₂S
• Molecular Weight: 193.226
• ChEMBL ID: CHEMBL3252133
• DSSTox Substance ID: DTXSID10494097
• Nikkaji Number: J37.030D
• Wikidata: Q82341214

Synonyms:3-mercapto-1H-indole-2-carboxylic acid;61830-04-4;3-Sulfanyl-1H-indole-2-carboxylic acid;SCHEMBL6651145;CHEMBL3252133;DTXSID10494097;AKOS006371354

Chemical Property of 3-mercapto-1H-indole-2-carboxylic acid

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 193.01974964
• Heavy Atom Count: 13
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C(N2)C(=O)O)S

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