Basic information
- CAS
82436-20-2- Standard SMILES
Brc1cccc(C2SCCS2)c1- InChIKey
JHRNZQWXJTUNHH-UHFFFAOYSA-N- Molecular formula
- C9H9BrS2
- Average molar mass
- 261.2 g/mol
- Monoisotopic mass
- 259.93291
Names & identifiers
- Preferred name
- 2-(3-Bromophenyl)-1,3-dithiolane
- IUPAC
- 2-(3-bromophenyl)-1,3-dithiolane
- English name
- 1,3-DITHIOLANE, 2-(m-BROMOPHENYL)-
- Molecular weight
- 0
Names & synonyms
2-(3-bromophenyl)-1,3-dithiolane1,3-DITHIOLANE, 2-(m-BROMOPHENYL)-82436-20-2DTXSID90231740RefChem:1061057DTXCID20154231BRN 55138512-(m-Bromophenyl)-1,3-dithiolane
Database identifiers
- CAS
82436-20-2- PubChem CID
- 54875
- DTXSID
DTXSID90231740- Nikkaji
- J91.138K
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
- 145
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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