Basic information
- CAS
23517-65-9- Standard SMILES
Cc1cc(N2C(=O)C(C)SC2=S)ccc1Br- InChIKey
FYXHXZSZAGBFLD-UHFFFAOYSA-N- Molecular formula
- C11H10BrNOS2
- Average molar mass
- 316.2 g/mol
- Monoisotopic mass
- 314.93872
Names & identifiers
- Preferred name
- Rhodanine, 3-(4-bromo-m-tolyl)-5-methyl-
- IUPAC
- 3-(4-bromo-3-methylphenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
23517-65-9Rhodanine, 3-(4-bromo-m-tolyl)-5-methyl-RefChem:10980413-(4-Bromo-m-tolyl)-5-methylrhodanine3-(4-bromo-3-methylphenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-oneDTXSID50946247
Database identifiers
- CAS
23517-65-9- PubChem CID
- 211697
- DTXSID
DTXSID50946247
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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