3-(4-Bromo-2-methylphenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Basic information
- CAS
23517-63-7- Standard SMILES
Cc1cc(Br)ccc1N1C(=O)C(C)SC1=S- InChIKey
NUVSMIWXZZEJEO-UHFFFAOYSA-N- Molecular formula
- C11H10BrNOS2
- Average molar mass
- 316.2 g/mol
- Monoisotopic mass
- 314.93872
Names & identifiers
- Preferred name
- 3-(4-Bromo-2-methylphenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- 3-(4-bromo-2-methylphenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
23517-63-7DTXSID909462463-(4-bromo-2-methylphenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-oneRefChem:1066780DTXCID9013745363-(4-Bromo-o-tolyl)-5-methylrhodanineRhodanine, 3-(4-bromo-o-tolyl)-5-methyl-
Database identifiers
- CAS
23517-63-7- PubChem CID
- 211696
- DTXSID
DTXSID90946246
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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