Basic information
- Standard SMILES
OC1(C2SCCCS2)CCc2cc(Br)ccc21- InChIKey
OFJQIPOQXVPKCD-UHFFFAOYSA-N- Molecular formula
- C13H15BrOS2
- Average molar mass
- 331.3 g/mol
- Monoisotopic mass
- 329.97477
Names & identifiers
- Preferred name
- 5-bromo-1-(1,3-dithian-2-yl)-2,3-dihydro-1H-inden-1-ol
- IUPAC
- 5-bromo-1-(1,3-dithian-2-yl)-2,3-dihydroinden-1-ol
Names & synonyms
5-bromo-1-(1,3-dithian-2-yl)-2,3-dihydro-1H-inden-1-olSCHEMBL1530527OFJQIPOQXVPKCD-UHFFFAOYSA-N1132943-90-8SY346348(rac)-5-Bromo-1-[1,3]dithian-2-yl-indan-1-ol
Database identifiers
- PubChem CID
- 57419484
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Related reactions
8 records
Compound notes
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