Basic information
- CAS
23517-66-0- Standard SMILES
CCC1SC(=S)N(c2ccc(Br)c(C)c2)C1=O- InChIKey
FSVONSYQAPAJBM-UHFFFAOYSA-N- Molecular formula
- C12H12BrNOS2
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 328.95437
Names & identifiers
- Preferred name
- Rhodanine, 3-(4-bromo-m-tolyl)-5-ethyl-
- IUPAC
- 3-(4-bromo-3-methylphenyl)-5-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
23517-66-0Rhodanine, 3-(4-bromo-m-tolyl)-5-ethyl-RefChem:10980403-(4-Bromo-m-tolyl)-5-ethylrhodanine3-(4-bromo-3-methylphenyl)-5-ethyl-2-sulfanylidene-1,3-thiazolidin-4-oneDTXSID10946248
Database identifiers
- CAS
23517-66-0- PubChem CID
- 211698
- DTXSID
DTXSID10946248
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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