5-endo-Carboxyendothall thioanhydride

Base Information

• Chemical Name: 5-endo-Carboxyendothall thioanhydride
• CAS No.: 127311-91-5
• Molecular Formula: C9H8 O5 S
• Molecular Weight: 228.2218
• DSSTox Substance ID: DTXSID30925853
• Wikidata: Q76279656
• Mol file: 127311-91-5.mol

Synonyms:5-endo-Carboxyendothall thioanhydride;127311-91-5;4,7-Epoxybenzo(c)thiophene-5-carboxylic acid, octahydro-1,3-dioxo-, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-;C9H8O5S;DTXSID30925853;C9-H8-O5-S;LS-64032;1,3-Dioxooctahydro-4,7-epoxy-2-benzothiophene-5-carboxylic acid

Chemical Property of 5-endo-Carboxyendothall thioanhydride

Chemical Property:

• Vapor Pressure: 3.07E-08mmHg at 25°C
• Boiling Point: 420.2°Cat760mmHg
• Flash Point: 207.9°C
• Density: 1.687g/cm³
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 228.00924453
• Heavy Atom Count: 15
• Complexity: 379

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2C3C(C1O2)C(=O)SC3=O)C(=O)O
• Isomeric SMILES: C1[C@H]([C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)SC3=O)C(=O)O

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