Basic information
- CAS
70068-13-2- Standard SMILES
OC1CCCCCC12SCCCS2- InChIKey
ZZNCEYKPPZFQEJ-UHFFFAOYSA-N- Molecular formula
- C10H18OS2
- Average molar mass
- 218.4 g/mol
- Monoisotopic mass
- 218.07990754
Names & identifiers
- Preferred name
- 1,5-Dithiaspiro[5.6]dodecan-7-ol
- IUPAC
- 1,5-dithiaspiro[5.6]dodecan-7-ol
Names & synonyms
1,5-Dithiaspiro[5.6]dodecan-7-ol70068-13-2DTXSID803434021,5-Dithiaspiro(5.6)dodecan-7-olRefChem:221388DTXCID00294482ZZNCEYKPPZFQEJ-UHFFFAOYSA-N
Database identifiers
- CAS
70068-13-2- PubChem CID
- 589503
- DTXSID
DTXSID80343402
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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