Basic information
- CAS
5391-53-7- Standard SMILES
CC(=O)N1CCN(C(C)=O)C1=S- InChIKey
RBSPLEPYBFASTR-UHFFFAOYSA-N- Molecular formula
- C7H10N2O2S
- Average molar mass
- 186.23 g/mol
- Monoisotopic mass
- 186.04629874
Names & identifiers
- Preferred name
- 1,1'-(2-Thioxoimidazolidine-1,3-diyl)diethanone
- IUPAC
- 1-(3-acetyl-2-sulfanylideneimidazolidin-1-yl)ethanone
Names & synonyms
5391-53-71,1'-(2-thioxoimidazolidine-1,3-diyl)diethanoneDTXSID10281621RefChem:211984DTXCID70232775NSC221981,3-Diacetylimidazolidine-2-thioneTizanidine Unknown ImpurityCHEMBL4719081-(3-acetyl-2-sulfanylideneimidazolidin-1-yl)ethan-1-oneEBC-80247NSC-22198
Show more names
1-(3-acetyl-2-thioxo-imidazolidin-1-yl)ethanone1-(3-Acetyl-2-thioxo-imidazolidin-1-yl)-ethanone1,1'-(2-Sulfanylideneimidazolidine-1,3-diyl)di(ethan-1-one)
Database identifiers
- CAS
5391-53-7- PubChem CID
- 228945
- DTXSID
DTXSID10281621- ChEMBL
CHEMBL471908
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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