Basic information
- CAS
56676-48-3- Standard SMILES
O=C1CSC(=S)N1c1ccccc1Br- InChIKey
FISNJKOEQSRSLD-UHFFFAOYSA-N- Molecular formula
- C9H6BrNOS2
- Average molar mass
- 288.2 g/mol
- Monoisotopic mass
- 286.90742
Names & identifiers
- Preferred name
- 4-Thiazolidinone, 3-(2-bromophenyl)-2-thioxo-
- IUPAC
- 3-(2-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
4-thiazolidinone, 3-(2-bromophenyl)-2-thioxo-56676-48-3DTXSID903491323-(2-bromophenyl)-2-thioxo-1,3-thiazolidin-4-oneRefChem:296598DTXCID50300204InChI=1/C9H6BrNOS2/c10-6-3-1-2-4-7(6)11-8(12)5-14-9(11)13/h1-4H,5H3-(2-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-oneAKOS005131937
Database identifiers
- CAS
56676-48-3- PubChem CID
- 643248
- DTXSID
DTXSID90349132
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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