2,5-Diethyl-2,3-dihydro-1,4-dithiine
Basic information
- CAS
61947-25-9- Standard SMILES
CCC1=CSC(CC)CS1- InChIKey
MZHHPCOLGDJKEQ-UHFFFAOYSA-N- Molecular formula
- C8H14S2
- Average molar mass
- 174.3 g/mol
- Monoisotopic mass
- 174.05369279
Names & identifiers
- Preferred name
- 2,5-Diethyl-2,3-dihydro-1,4-dithiine
- IUPAC
- 2,5-diethyl-2,3-dihydro-1,4-dithiine
Names & synonyms
2,5-Diethyl-2,3-dihydro-1,4-dithiine61947-25-9SCHEMBL11397859DTXSID50512986
Database identifiers
- CAS
61947-25-9- PubChem CID
- 12920064
- DTXSID
DTXSID50512986
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 129
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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