Rhodanine, 3-(p-chlorophenyl)-5-propyl-
Basic information
- CAS
23522-58-9- Standard SMILES
CCCC1SC(=S)N(c2ccc(Cl)cc2)C1=O- InChIKey
ZFCUCPPMRSELCC-UHFFFAOYSA-N- Molecular formula
- C12H12ClNOS2
- Average molar mass
- 285.8 g/mol
- Monoisotopic mass
- 285.004884
Names & identifiers
- Preferred name
- Rhodanine, 3-(p-chlorophenyl)-5-propyl-
- IUPAC
- 3-(4-chlorophenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
23522-58-9Rhodanine, 3-(p-chlorophenyl)-5-propyl-RefChem:10980493-(p-Chlorophenyl)-5-propylrhodanineNSC 32133NSC32133DTXSID201384936NSC-32133
Database identifiers
- CAS
23522-58-9- PubChem CID
- 97729
- DTXSID
DTXSID201384936
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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