2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid

Base Information

• Chemical Name: 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid
• CAS No.: 21808-48-0
• Molecular Formula: C7H10N2O4S2
• Molecular Weight: 250.2953
• NSC Number: 40461
• DSSTox Substance ID: DTXSID80285095
• Wikidata: Q82020342
• Mol file: 21808-48-0.mol

Synonyms:21808-48-0;2,2'-(2-thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid;NSC40461;DTXSID80285095;NSC-40461

Chemical Property of 2,2'-(2-Thioxo-1,3,5-thiadiazinane-3,5-diyl)diacetic acid

Chemical Property:

• XLogP3: -1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 250.00819915
• Heavy Atom Count: 15
• Complexity: 297

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1N(CSC(=S)N1CC(=O)O)CC(=O)O

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