Methyl cyano(4,5-dihydroxy-1,3-dithiolan-2-ylidene)acetate

Base Information

• Chemical Name: Methyl cyano(4,5-dihydroxy-1,3-dithiolan-2-ylidene)acetate
• CAS No.: 89594-24-1
• Molecular Formula: C7H7NO4S2
• Molecular Weight: 233.26500
• DSSTox Substance ID: DTXSID70539059

Synonyms:89594-24-1;DTXSID70539059;Methyl cyano(4,5-dihydroxy-1,3-dithiolan-2-ylidene)acetate

Chemical Property of Methyl cyano(4,5-dihydroxy-1,3-dithiolan-2-ylidene)acetate

Chemical Property:

• PSA: 141.15000
• LogP: 0.01138
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 232.98165005
• Heavy Atom Count: 14
• Complexity: 320

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=C1SC(C(S1)O)O)C#N

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