3-(6-Methyl-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one
Basic information
- CAS
59362-55-9- Standard SMILES
Cc1ccc2nc(N3C(=O)CNC3=S)sc2c1- InChIKey
LPWUFYBASCWVCI-UHFFFAOYSA-N- Molecular formula
- C11H9N3OS2
- Average molar mass
- 263.3 g/mol
- Monoisotopic mass
- 263.01870427
Names & identifiers
- Preferred name
- 3-(6-Methyl-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one
- IUPAC
- 3-(6-methyl-1,3-benzothiazol-2-yl)-2-sulfanylideneimidazolidin-4-one
Names & synonyms
59362-55-93-(6-methyl-1,3-benzothiazol-2-yl)-2-sulfanylideneimidazolidin-4-oneCHEMBL1438570DTXSID401331888HMS2812D073-(6-methyl-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-oneSTK870819AKOS005611695MLS-0293022.0001SR-01000254869SR-01000254869-13-(6-methylbenzo[d]thiazol-2-yl)-2-thioxoimidazolidin-4-one
Database identifiers
- CAS
59362-55-9- PubChem CID
- 896091
- DTXSID
DTXSID401331888- ChEMBL
CHEMBL1438570
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
Solubility11.9 [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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