Basic information
- CAS
6141-92-0- Standard SMILES
COC(=O)C(C)N1C(=O)C(=Cc2cccc3ccccc23)SC1=S- InChIKey
VOYIMMIPBKOQIG-UHFFFAOYSA-N- Molecular formula
- C18H15NO3S2
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.04933569
Names & identifiers
- Preferred name
- Methyl 2-{5-[(naphthalen-1-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
- IUPAC
- methyl 2-[5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
Names & synonyms
6141-92-0DTXSID30410577Methyl 2-{5-[(naphthalen-1-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
Database identifiers
- CAS
6141-92-0- PubChem CID
- 5215413
- DTXSID
DTXSID30410577
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 575
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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