3-[6-(2,4-Dioxo-1,3-thiazolidin-3-yl)hexyl]-1,3-thiazolidine-2,4-dione

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Basic information

CAS: 61531-85-9
Standard SMILES: O=C1CSC(=O)N1CCCCCCN1C(=O)CSC1=O
InChIKey: CFOAZMQFHIWSGZ-UHFFFAOYSA-N
Molecular formula: C12H16N2O4S2
Average molar mass: 316.4 g/mol
Monoisotopic mass: 316.05514934

Names & identifiers

Preferred name: 3-[6-(2,4-Dioxo-1,3-thiazolidin-3-yl)hexyl]-1,3-thiazolidine-2,4-dione
IUPAC: 3-[6-(2,4-dioxo-1,3-thiazolidin-3-yl)hexyl]-1,3-thiazolidine-2,4-dione

Names & synonyms

61531-85-92,4-Thiazolidinedione, 3,3'-(1,6-hexanediyl)bis-ST500550083-[6-(2,4-dioxo-1,3-thiazolidin-3-yl)hexyl]-1,3-thiazolidine-2,4-dioneDTXSID00408204AKOS0021707273,3'-(Hexane-1,6-diyl)di(1,3-thiazolidine-2,4-dione)

Database identifiers

CAS: 61531-85-9
PubChem CID: 5088055
DTXSID: DTXSID00408204

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 125 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 20
Formal charge: 0
Complexity: 401

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Compound notes

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