3-(1,3-Dithian-2-ylidene)-5-(pyridin-4-ylmethyl)oxolane-2,4-dione

Base Information

• Chemical Name: 3-(1,3-Dithian-2-ylidene)-5-(pyridin-4-ylmethyl)oxolane-2,4-dione
• CAS No.: 723745-04-8
• Molecular Formula: C₁₄H₁₃NO₃S₂
• Molecular Weight: 307.394
• DSSTox Substance ID: DTXSID90403945

Synonyms:723745-04-8;3-(1,3-dithian-2-ylidene)-5-(pyridin-4-ylmethyl)oxolane-2,4-dione;3-(1,3-dithian-2-ylidene)-5-(4-pyridinylmethyl)-2,4(3H,5H)-furandione;AO-660/42296157;DTXSID90403945

Chemical Property of 3-(1,3-Dithian-2-ylidene)-5-(pyridin-4-ylmethyl)oxolane-2,4-dione

Chemical Property:

• PSA: 106.86000
• LogP: 2.20030
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 307.03368562
• Heavy Atom Count: 20
• Complexity: 436

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(=C2C(=O)C(OC2=O)CC3=CC=NC=C3)SC1

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