2,2-Diethyl-1,3-dithiane
Basic information
- CAS
63882-91-7- Standard SMILES
CCC1(CC)SCCCS1- InChIKey
MCRGFGSNLDLCKS-UHFFFAOYSA-N- Molecular formula
- C8H16S2
- Average molar mass
- 176.3 g/mol
- Monoisotopic mass
- 176.06934286
Names & identifiers
- Preferred name
- 2,2-Diethyl-1,3-dithiane
- IUPAC
- 2,2-diethyl-1,3-dithiane
Names & synonyms
2,2-Diethyl-1,3-dithiane63882-91-7DTXSID60343480RefChem:243253DTXCID10294559MCRGFGSNLDLCKS-UHFFFAOYSA-NSCHEMBL13575310
Database identifiers
- CAS
63882-91-7- PubChem CID
- 589976
- DTXSID
DTXSID60343480
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 89.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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