Basic information
- Standard SMILES
CC(c1ccc(Br)cc1)C1SCCCS1- InChIKey
MIFISDDRXWTDNL-UHFFFAOYSA-N- Molecular formula
- C12H15BrS2
- Average molar mass
- 303.3 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-1-(1,3-dithian-2-yl)ethylbenzene
- IUPAC
- 2-[1-(4-bromophenyl)ethyl]-1,3-dithiane
Names & synonyms
SCHEMBL1545702MIFISDDRXWTDNL-UHFFFAOYSA-N4-bromo-1(1,3-dithian-2-yl)ethylbenzene4-bromo-1-(1,3dithian-2-yl)ethylbenzene4bromo-1-(1,3-dithian-2-yl)ethylbenzene4-bromo-1-(l,3-dithian-2-yl)ethylbenzene4-bromo-1-(1,3-dithian-2-yl)ethylbenzene
Database identifiers
- PubChem CID
- 21960112
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 184
Related reactions
146 records
Compound notes
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