Basic information
- CAS
55789-66-7- Standard SMILES
CC1=C(C)SC(C)C(C)S1- InChIKey
ADZQLQDJYZRJEX-UHFFFAOYSA-N- Molecular formula
- C8H14S2
- Average molar mass
- 174.3 g/mol
- Monoisotopic mass
- 174.05369245
Names & identifiers
- Preferred name
- 2,3,5,6-Tetramethyl-2,3-dihydro-1,4-dithiine
- IUPAC
- 2,3,5,6-tetramethyl-2,3-dihydro-1,4-dithiine
Names & synonyms
2,3,5,6-Tetramethyl-2,3-dihydro-1,4-dithiine55789-66-7SCHEMBL10910594DTXSID40512975ADZQLQDJYZRJEX-UHFFFAOYSA-N2,3-dihydro-2,3,5,6-tetramethyl-1,4-dithiin
Database identifiers
- CAS
55789-66-7- PubChem CID
- 12920052
- DTXSID
DTXSID40512975
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 143
Related reactions
4 records
Compound notes
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