2,3-dihydro-1,4-dithiin-1,1,4,4-tetroxide   Click here for help

GtoPdb Ligand ID: 3486

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 85.04
Molecular weight 181.97
XLogP -0.28
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=S1(=O)CCS(=O)(=O)C=C1
Isomeric SMILES O=S1(=O)CCS(=O)(=O)C=C1
InChI InChI=1S/C4H6O4S2/c5-9(6)1-2-10(7,8)4-3-9/h1-2H,3-4H2
InChI Key YNEKVCMDWXAQGQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide
Database Links Click here for help
GtoPdb PubChem SID 178100476
PubChem CID 20549618
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