Basic information
- CAS
83521-65-7- Standard SMILES
Brc1ccc(C2SCCS2)cc1- InChIKey
ISMCODXVTQSEGF-UHFFFAOYSA-N- Molecular formula
- C9H9BrS2
- Average molar mass
- 261.2 g/mol
- Monoisotopic mass
- 259.93291
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-1,3-dithiolane
- IUPAC
- 2-(4-bromophenyl)-1,3-dithiolane
Names & synonyms
2-(4-Bromophenyl)-1,3-dithiolane1,3-DITHIOLANE, 2-(p-BROMOPHENYL)-83521-65-7DTXSID10232416RefChem:1061173DTXCID101549072-(p-Bromophenyl)-1,3-dithiolaneBRN 5513849ISMCODXVTQSEGF-UHFFFAOYSA-NAKOS0375176361,3-Dithiolane, 2-(4-bromophenyl)-2-(4-Bromophenyl)-1,3-dithiolane #
Database identifiers
- CAS
83521-65-7- PubChem CID
- 55012
- DTXSID
DTXSID10232416- Nikkaji
- J91.139I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 137
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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