Dithiadenoxide

Base Information

• Chemical Name: Dithiadenoxide
• CAS No.: 16220-41-0
• Molecular Formula: C21H23NO5S2
• Molecular Weight: 317.4689

Synonyms:4-(3-dimethylaminopropyliden)-4,9-dihydrothieno(2,3-c)(2)benzothiepin-10-oxide;dithiadenoxide;dithiadenoxide maleate

Chemical Property of Dithiadenoxide

Chemical Property:

• Boiling Point: 495.3°Cat760mmHg
• Flash Point: 253.4°C
• Density: 1.302g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 433.10176518
• Heavy Atom Count: 29
• Complexity: 540

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CN(C)CCC=C1C2=C(SC=C2)S(=O)CC3=CC=CC=C31.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN(C)CC/C=C\1/C2=C(SC=C2)S(=O)CC3=CC=CC=C31.C(=C/C(=O)O)\C(=O)O

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