1,4,7,10-Tetraoxa-13-thiacyclopentadecane-11,15-dione
Basic information
- CAS
63689-63-4- Standard SMILES
O=C1CSCC(=O)OCCOCCOCCO1- InChIKey
UBGQFLGGAPXVSM-UHFFFAOYSA-N- Molecular formula
- C10H16O6S
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.0667594
Names & identifiers
- Preferred name
- 1,4,7,10-Tetraoxa-13-thiacyclopentadecane-11,15-dione
- IUPAC
- 1,4,7,10-tetraoxa-13-thiacyclopentadecane-11,15-dione
- English name
- 2,6-DIKETO-4-THIA-15-CROWN-5
- Molecular formula
- C10H16O6S
- Molecular weight
- 264.3
Names & synonyms
63689-63-41,4,7,10-tetraoxa-13-thiacyclopentadecane-11,15-dioneNSC297858DTXSID60315849NSC-2978582,6-DIKETO-4-THIA-15-CROWN-5
Database identifiers
- CAS
63689-63-4- PubChem CID
- 326437
- DTXSID
DTXSID60315849
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 221
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Related reactions
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Compound notes
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