Basic information
- Standard SMILES
Cc1cc(C2OCCO2)sc1Br- InChIKey
DAXFIMFXBNGKGA-UHFFFAOYSA-N- Molecular formula
- C8H9BrO2S
- Average molar mass
- 249.13 g/mol
- Monoisotopic mass
- 247.95066
Names & identifiers
- Preferred name
- 2-(5-Bromo-4-methylthiophen-2-yl)-1,3-dioxolane
- IUPAC
- 2-(5-bromo-4-methylthiophen-2-yl)-1,3-dioxolane
Names & synonyms
SCHEMBL2502076DAXFIMFXBNGKGA-UHFFFAOYSA-N2-(5-bromo-4-methylthiophen-2-yl)-1,3-dioxolane2-(5-bromo-4-methyl-thiophen-2-yl)-[1,3]dioxolane1231755-04-6
Database identifiers
- PubChem CID
- 58418115
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Related reactions
3 records
Compound notes
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