1-Oxa-4-thiaspiro(4.4)nonane
Basic information
- CAS
176-38-5- Standard SMILES
C1CCC2(C1)OCCS2- InChIKey
AGDQMFKRKWUWTF-UHFFFAOYSA-N- Molecular formula
- C7H12OS
- Average molar mass
- 144.24 g/mol
- Monoisotopic mass
- 144.06088618
Names & identifiers
- Preferred name
- 1-Oxa-4-thiaspiro(4.4)nonane
- IUPAC
- 1-oxa-4-thiaspiro[4.4]nonane
- English name
- Cyclopentanone O,S-ethylenethioacetal
- Molecular formula
- C7H12OS
- Molecular weight
- 144.23
Names & synonyms
1-Oxa-4-thiaspiro[4.4]nonane176-38-51-Oxa-4-thiaspiro(4.4)nonaneSpiro(cyclopropane-1,2'-(1,3-oxathiolane))DTXSID20170057RefChem:1056165DTXCID4092548Cyclopentanone O,S-ethylenethioacetalBRN 1304830AGDQMFKRKWUWTF-UHFFFAOYSA-NSpiro(cyclopentane-1,2'-(1,3-oxathiolane))
Database identifiers
- CAS
176-38-5- PubChem CID
- 67434
- DTXSID
DTXSID20170057- Nikkaji
- J48.170J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Boiling point
- 81 °C · 81 °C(Press: 12 Torr)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
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Related reactions
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Compound notes
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