1,4-Dithiaspiro[4.5]decane-6-acetic acid, ethyl ester
Basic information
- CAS
332350-66-0- Standard SMILES
CCOC(=O)CC1CCCCC12SCCS2- InChIKey
FPXXWAGATVTQTD-UHFFFAOYSA-N- Molecular formula
- C12H20O2S2
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.09047222
Names & identifiers
- Preferred name
- 1,4-Dithiaspiro[4.5]decane-6-acetic acid, ethyl ester
- IUPAC
- ethyl 2-(1,4-dithiaspiro[4.5]decan-6-yl)acetate
Names & synonyms
332350-66-01,4-Dithiaspiro[4.5]decane-6-acetic acid, ethyl esterDTXSID30460254Ethyl (1,4-dithiaspiro[4.5]decan-6-yl)acetate
Database identifiers
- CAS
332350-66-0- PubChem CID
- 11253992
- DTXSID
DTXSID30460254- Nikkaji
- J1.455.954J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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