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

Base Information

• Chemical Name: 3-Isothiocyanato-1H-indole-2-carboxylic acid
• CAS No.: 61830-38-4
• Molecular Formula: C10H6N2O2S
• Molecular Weight: 218.23200
• DSSTox Substance ID: DTXSID50494096

Synonyms:61830-38-4;3-Isothiocyanato-1H-indole-2-carboxylic acid;DTXSID50494096

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

Chemical Property:

• PSA: 97.54000
• LogP: 2.60040
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 218.01499861
• Heavy Atom Count: 15
• Complexity: 315

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

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

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