3-(6-Methoxy-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one
Basic information
- CAS
59362-56-0- Standard SMILES
COc1ccc2nc(N3C(=O)CNC3=S)sc2c1- InChIKey
AXQUWWNYXSEOGU-UHFFFAOYSA-N- Molecular formula
- C11H9N3O2S2
- Average molar mass
- 279.3 g/mol
- Monoisotopic mass
- 279.01361889
Names & identifiers
- Preferred name
- 3-(6-Methoxy-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one
- IUPAC
- 3-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylideneimidazolidin-4-one
Names & synonyms
59362-56-03-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylideneimidazolidin-4-oneCHEMBL1420365DTXSID1013318893-(6-methoxy-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-oneSTK870820AKOS0016624733-(6-methoxybenzo[d]thiazol-2-yl)-2-thioxoimidazolidin-4-one
Database identifiers
- CAS
59362-56-0- PubChem CID
- 2933339
- DTXSID
DTXSID101331889- ChEMBL
CHEMBL1420365
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 379
Experimental & physicochemical properties
Solubility19.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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