2-(3-Benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2H-1,4-benzothiazin-3(4H)-one
Basic information
- CAS
54255-31-1- Standard SMILES
O=C1Nc2ccccc2SC1C1SC(=S)N(Cc2ccccc2)C1=O- InChIKey
UVLNNIKGDNAHSD-UHFFFAOYSA-N- Molecular formula
- C18H14N2O2S3
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.02174121
Names & identifiers
- Preferred name
- 2-(3-Benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2H-1,4-benzothiazin-3(4H)-one
- IUPAC
- 2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-4H-1,4-benzothiazin-3-one
Names & synonyms
54255-31-1NSC303751DTXSID00316471NSC-3037512-(3-Benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2H-1,4-benzothiazin-3(4H)-one
Database identifiers
- CAS
54255-31-1- PubChem CID
- 327685
- DTXSID
DTXSID00316471
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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