Dimethyl 1,2,3,4,7-trithiadiazepine-5,6-dicarboxylate

Base Information

• Chemical Name: Dimethyl 1,2,3,4,7-trithiadiazepine-5,6-dicarboxylate
• CAS No.: 72234-57-2
• Molecular Formula: C6H6N2O4S3
• DSSTox Substance ID: DTXSID30502724

Synonyms:72234-57-2;Dimethyl 1,2,3,4,7-trithiadiazepine-5,6-dicarboxylate;DTXSID30502724

Chemical Property of Dimethyl 1,2,3,4,7-trithiadiazepine-5,6-dicarboxylate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 265.94897020
• Heavy Atom Count: 15
• Complexity: 309

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=NSSSN=C1C(=O)OC

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