3-Benzyl-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Basic information
- CAS
21494-70-2- Standard SMILES
CCCC1SC(=S)N(Cc2ccccc2)C1=O- InChIKey
FVOGHLIABCGHPL-UHFFFAOYSA-N- Molecular formula
- C13H15NOS2
- Average molar mass
- 265.4 g/mol
- Monoisotopic mass
- 265.05950645
Names & identifiers
- Preferred name
- 3-Benzyl-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- 3-benzyl-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
21494-70-23-benzyl-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-oneDTXSID20944098RefChem:1067386DTXCID3013724513-Benzyl-5-propylrhodanineBRN 0801528Rhodanine, 3-benzyl-5-propyl-
Database identifiers
- CAS
21494-70-2- PubChem CID
- 210688
- DTXSID
DTXSID20944098
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…