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Basic information
- CAS
51717-64-7- Standard SMILES
O=C1CCCCCC1C1SCCS1- InChIKey
ITIKPJFUKFUPSF-UHFFFAOYSA-N- Molecular formula
- C10H16OS2
- Average molar mass
- 216.4 g/mol
- Monoisotopic mass
- 216.06425748
Names & identifiers
- Preferred name
- Cycloheptanone, 2-(1,3-dithiolan-2-yl)-
- IUPAC
- 2-(1,3-dithiolan-2-yl)cycloheptan-1-one
Names & synonyms
51717-64-7CYCLOHEPTANONE, 2-(1,3-DITHIOLAN-2-YL)-RefChem:10824532-(1,3-Dithiolan-2-yl)cycloheptanone2-(1,3-dithiolan-2-yl)cycloheptan-1-oneDTXSID10966002
Database identifiers
- CAS
51717-64-7- PubChem CID
- 40095
- DTXSID
DTXSID10966002
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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