5,6-Benzobis-thiololactone

Base Information

• Chemical Name: 5,6-Benzobis-thiololactone
• CAS No.: 129679-48-7
• Molecular Formula: C12H8 O2 S2
• Molecular Weight: 248.3207
• DSSTox Substance ID: DTXSID40926457

Synonyms:5,6-Benzobis-thiololactone;129679-48-7;5,1,4-(Epithioethanylylidene)-2-benzothiepin-3,11(1H)-dione, 4,5-dihydro-;DTXSID40926457;C12-H8-O2-S2;LS-64005;4,5-Dihydro-5,1,4-(epithioethane[1,2,2]triyl)-2-benzothiepine-3,11(1H)-dione

Chemical Property of 5,6-Benzobis-thiololactone

Chemical Property:

• Vapor Pressure: 2.79E-11mmHg at 25°C
• Boiling Point: 529.1°Cat760mmHg
• Flash Point: 253.1°C
• Density: 1.54g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 247.99657184
• Heavy Atom Count: 16
• Complexity: 345

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C3C4C(C(C2=C1)SC4=O)C(=O)S3

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