1,3-Dithiole-4-carboxylic acid, 2-(1,3-dithiol-2-ylidene)-

Base Information

• Chemical Name: 1,3-Dithiole-4-carboxylic acid, 2-(1,3-dithiol-2-ylidene)-
• CAS No.: 63822-38-8
• Molecular Formula: C7H4O2S4
• Molecular Weight: 248.372
• DSSTox Substance ID: DTXSID30448138
• Nikkaji Number: J584.899G
• Wikidata: Q82267091

Synonyms:63822-38-8;1,3-Dithiole-4-carboxylic acid, 2-(1,3-dithiol-2-ylidene)-;SCHEMBL1047687;tetrathiafulvalenecarboxylic acid;DTXSID30448138

Chemical Property of 1,3-Dithiole-4-carboxylic acid, 2-(1,3-dithiol-2-ylidene)-

Chemical Property:

• Melting Point: 182-184 °C (decomp)
• Boiling Point: 318.5±42.0 °C(Predicted)
• PSA: 138.50000
• Density: 1.838±0.06 g/cm3(Predicted)
• LogP: 3.47020
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 247.90941406
• Heavy Atom Count: 13
• Complexity: 332

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CSC(=C2SC=C(S2)C(=O)O)S1

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