Basic information
- CAS
62159-78-8- Standard SMILES
C=Cn1c(Br)cc(Br)c(O)c1=S- InChIKey
SUGSERHNDTYBTH-UHFFFAOYSA-N- Molecular formula
- C7H5Br2NOS
- Average molar mass
- 311 g/mol
- Monoisotopic mass
- 308.84586
Names & identifiers
- Preferred name
- 4,6-Dibromo-1-ethenyl-3-hydroxypyridine-2(1H)-thione
- IUPAC
- 4,6-dibromo-1-ethenyl-3-hydroxypyridine-2-thione
Names & synonyms
62159-78-84,6-Dibromo-1-ethenyl-3-hydroxypyridine-2(1H)-thioneDTXSID80495415
Database identifiers
- CAS
62159-78-8- PubChem CID
- 12380331
- DTXSID
DTXSID80495415
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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