5-endo-(Ethoxycarbonyl)endothall thioanhydride

Base Information

• Chemical Name: 5-endo-(Ethoxycarbonyl)endothall thioanhydride
• CAS No.: 127311-89-1
• Molecular Formula: C11H12 O5 S
• Molecular Weight: 256.275
• DSSTox Substance ID: DTXSID10925851
• Wikidata: Q76279651
• Mol file: 127311-89-1.mol

Synonyms:5-endo-(Ethoxycarbonyl)endothall thioanhydride;127311-89-1;4,7-Epoxybenzo(c)thiophene-5-carboxylic acid, octahydro-1,3-dioxo-, ethyl ester, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-;DTXSID10925851;LS-64033;Ethyl 1,3-dioxooctahydro-4,7-epoxy-2-benzothiophene-5-carboxylate

Chemical Property of 5-endo-(Ethoxycarbonyl)endothall thioanhydride

Chemical Property:

• Vapor Pressure: 5.92E-05mmHg at 25°C
• Boiling Point: 346°C at 760 mmHg
• Flash Point: 166.2°C
• Density: 1.447g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 256.04054465
• Heavy Atom Count: 17
• Complexity: 407

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CC2C3C(C1O2)C(=O)SC3=O
• Isomeric SMILES: CCOC(=O)[C@@H]1C[C@@H]2[C@@H]3[C@H]([C@H]1O2)C(=O)SC3=O

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