4-(4-Bromophenyl)-1,3-dithiol-2-one
Basic information
- CAS
42574-14-1- Standard SMILES
O=c1scc(-c2ccc(Br)cc2)s1- InChIKey
TUXGPCOOJPVSRW-UHFFFAOYSA-N- Molecular formula
- C9H5BrOS2
- Average molar mass
- 273.2 g/mol
- Monoisotopic mass
- 271.89652
Names & identifiers
- Preferred name
- 4-(4-Bromophenyl)-1,3-dithiol-2-one
- IUPAC
- 4-(4-bromophenyl)-1,3-dithiol-2-one
Names & synonyms
4-(4-bromophenyl)-1,3-dithiol-2-one42574-14-1NSC2088894-(4-bromophenyl)-2H-1,3-dithiol-2-oneDTXSID10308766AKOS001297718NSC-208889DS-005072Z212050918
Database identifiers
- CAS
42574-14-1- PubChem CID
- 308200
- DTXSID
DTXSID10308766- Nikkaji
- J2.529.811J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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